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

WF             site_B          number of pairs
WF(  1)=[Cr_3d-2]  to site Cr(  1)  npairs=   1
              1 vec=     0.000000      0.000000      0.000000   |vec|=    0.000000
                3p
                   -1 :               0.00000000000000
                   +0 :              -0.01348818442142
                   +1 :              -0.00000000000000
                3d
                   -2 :               0.98856282389280
                   -1 :              -0.00000000000000
                   +1 :               0.00000000000000
                   +2 :              -0.00000000000000
                4d
                   -2 :               0.14828597708630
                   -1 :              -0.00000000000000
                   +1 :               0.00000000000000
                   +2 :              -0.00000000000000
                4p
                   -1 :              -0.00000000000000
                   +0 :              -0.04353635669227
                   +1 :              -0.00000000000000
WF             site_B          number of pairs
WF(  1)=[Cr_3d-2]  to site F (  2)  npairs=   1
              1 vec=     1.856847      1.856847      1.856847   |vec|=    3.216154
                1s
                   +0 :              -0.01159000104534
                2s
                   +0 :               0.14537099673016
                3s
                   +0 :              -0.04516982513108
                2p
                   -1 :              -0.05761517082534
                   +0 :               0.04029323944871
                   +1 :              -0.05761517082534
                3p
                   -1 :              -0.01902977698960
                   +0 :              -0.03586423445322
                   +1 :              -0.01902977698960
                3d
                   -2 :               0.00438647917368
                   -1 :               0.00568633610752
                   +0 :               0.00699641871733
                   +1 :               0.00568633610752
                   +2 :              -0.00000000000000
WF             site_B          number of pairs
WF(  1)=[Cr_3d-2]  to site F (  3)  npairs=   1
              1 vec=    -1.856847      1.856847     -1.856847   |vec|=    3.216154
                1s
                   +0 :               0.01159000104534
                2s
                   +0 :              -0.14537099673016
                3s
                   +0 :               0.04516982513108
                2p
                   -1 :               0.05761517082534
                   +0 :               0.04029323944871
                   +1 :              -0.05761517082534
                3p
                   -1 :               0.01902977698960
                   +0 :              -0.03586423445322
                   +1 :              -0.01902977698960
                3d
                   -2 :               0.00438647917368
                   -1 :               0.00568633610752
                   +0 :              -0.00699641871733
                   +1 :              -0.00568633610752
                   +2 :              -0.00000000000000
WF             site_B          number of pairs
WF(  1)=[Cr_3d-2]  to site F (  4)  npairs=   1
              1 vec=     1.856847     -1.856847     -1.856847   |vec|=    3.216154
                1s
                   +0 :               0.01159000104534
                2s
                   +0 :              -0.14537099673016
                3s
                   +0 :               0.04516982513108
                2p
                   -1 :              -0.05761517082534
                   +0 :               0.04029323944871
                   +1 :               0.05761517082534
                3p
                   -1 :              -0.01902977698960
                   +0 :              -0.03586423445322
                   +1 :               0.01902977698960
                3d
                   -2 :               0.00438647917368
                   -1 :              -0.00568633610752
                   +0 :              -0.00699641871733
                   +1 :               0.00568633610752
                   +2 :              -0.00000000000000
WF             site_B          number of pairs
WF(  1)=[Cr_3d-2]  to site F (  5)  npairs=   1
              1 vec=    -1.856847     -1.856847      1.856847   |vec|=    3.216154
                1s
                   +0 :              -0.01159000104534
                2s
                   +0 :               0.14537099673016
                3s
                   +0 :              -0.04516982513108
                2p
                   -1 :               0.05761517082534
                   +0 :               0.04029323944871
                   +1 :               0.05761517082534
                3p
                   -1 :               0.01902977698960
                   +0 :              -0.03586423445322
                   +1 :               0.01902977698960
                3d
                   -2 :               0.00438647917368
                   -1 :              -0.00568633610752
                   +0 :               0.00699641871733
                   +1 :              -0.00568633610752
                   +2 :              -0.00000000000000
WF             site_B          number of pairs
WF(  2)=[Cr_3d-1]  to site Cr(  1)  npairs=   1
              1 vec=     0.000000      0.000000      0.000000   |vec|=    0.000000
                3p
                   -1 :              -0.00000000000000
                   +0 :               0.00000000000000
                   +1 :              -0.01348818442142
                3d
                   -2 :              -0.00000000000000
                   -1 :               0.98856282389280
                   +0 :              -0.00000000000000
                   +1 :              -0.00000000000000
                   +2 :               0.00000000000000
                4d
                   -2 :              -0.00000000000000
                   -1 :               0.14828597708630
                   +1 :              -0.00000000000000
                   +2 :               0.00000000000000
                4p
                   -1 :              -0.00000000000000
                   +0 :               0.00000000000000
                   +1 :              -0.04353635669227
WF             site_B          number of pairs
WF(  2)=[Cr_3d-1]  to site F (  2)  npairs=   1
              1 vec=     1.856847      1.856847      1.856847   |vec|=    3.216154
                1s
                   +0 :              -0.01159000104534
                2s
                   +0 :               0.14537099673016
                3s
                   +0 :              -0.04516982513108
                2p
                   -1 :              -0.05761517082534
                   +0 :              -0.05761517082534
                   +1 :               0.04029323944871
                3p
                   -1 :              -0.01902977698960
                   +0 :              -0.01902977698960
                   +1 :              -0.03586423445322
                3d
                   -2 :               0.00568633610752
                   -1 :               0.00438647917368
                   +0 :              -0.00349820935867
                   +1 :               0.00568633610752
                   +2 :               0.00605907634472
WF             site_B          number of pairs
WF(  2)=[Cr_3d-1]  to site F (  3)  npairs=   1
              1 vec=    -1.856847      1.856847     -1.856847   |vec|=    3.216154
                1s
                   +0 :               0.01159000104534
                2s
                   +0 :              -0.14537099673016
                3s
                   +0 :               0.04516982513108
                2p
                   -1 :               0.05761517082534
                   +0 :              -0.05761517082534
                   +1 :               0.04029323944871
                3p
                   -1 :               0.01902977698960
                   +0 :              -0.01902977698960
                   +1 :              -0.03586423445322
                3d
                   -2 :               0.00568633610752
                   -1 :               0.00438647917368
                   +0 :               0.00349820935867
                   +1 :              -0.00568633610752
                   +2 :              -0.00605907634472
WF             site_B          number of pairs
WF(  2)=[Cr_3d-1]  to site F (  4)  npairs=   1
              1 vec=     1.856847     -1.856847     -1.856847   |vec|=    3.216154
                1s
                   +0 :              -0.01159000104534
                2s
                   +0 :               0.14537099673016
                3s
                   +0 :              -0.04516982513108
                2p
                   -1 :               0.05761517082534
                   +0 :               0.05761517082534
                   +1 :               0.04029323944871
                3p
                   -1 :               0.01902977698960
                   +0 :               0.01902977698960
                   +1 :              -0.03586423445322
                3d
                   -2 :              -0.00568633610752
                   -1 :               0.00438647917368
                   +0 :              -0.00349820935867
                   +1 :              -0.00568633610752
                   +2 :               0.00605907634472
WF             site_B          number of pairs
WF(  2)=[Cr_3d-1]  to site F (  5)  npairs=   1
              1 vec=    -1.856847     -1.856847      1.856847   |vec|=    3.216154
                1s
                   +0 :               0.01159000104534
                2s
                   +0 :              -0.14537099673016
                3s
                   +0 :               0.04516982513108
                2p
                   -1 :              -0.05761517082534
                   +0 :               0.05761517082534
                   +1 :               0.04029323944871
                3p
                   -1 :              -0.01902977698960
                   +0 :               0.01902977698960
                   +1 :              -0.03586423445322
                3d
                   -2 :              -0.00568633610752
                   -1 :               0.00438647917368
                   +0 :               0.00349820935867
                   +1 :               0.00568633610752
                   +2 :              -0.00605907634472
WF             site_B          number of pairs
WF(  3)=[Cr_3d+0]  to site Cr(  1)  npairs=   1
              1 vec=     0.000000      0.000000      0.000000   |vec|=    0.000000
                3s
                   +0 :               0.00000000000000
                3p
                   -1 :               0.00000000000000
                   +0 :               0.00000000000000
                4s
                   +0 :               0.00000000000000
                5s
                   +0 :              -0.00000000000000
                3d
                   -2 :              -0.00000000000000
                   -1 :               0.00000000000000
                   +0 :               1.00057152078173
                   +1 :               0.00000000000000
                4d
                   -2 :              -0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :               0.17642778228930
                   +1 :               0.00000000000000
                   +2 :              -0.00000000000000
                4p
                   -1 :              -0.00000000000000
                   +1 :              -0.00000000000000
WF             site_B          number of pairs
WF(  3)=[Cr_3d+0]  to site F (  2)  npairs=   1
              1 vec=     1.856847      1.856847      1.856847   |vec|=    3.216154
                1s
                   +0 :               0.00000000000000
                2s
                   +0 :               0.00000000000000
                3s
                   +0 :              -0.00000000000000
                2p
                   -1 :               0.02584998134514
                   +0 :              -0.05169996269028
                   +1 :               0.02584998134514
                3p
                   -1 :              -0.00670597526066
                   +0 :               0.01341195052132
                   +1 :              -0.00670597526066
                3d
                   -2 :               0.00716897992124
                   -1 :              -0.00358448996062
                   +0 :              -0.00782856763502
                   +1 :              -0.00358448996062
                   +2 :              -0.00000000000000
WF             site_B          number of pairs
WF(  3)=[Cr_3d+0]  to site F (  3)  npairs=   1
              1 vec=    -1.856847      1.856847     -1.856847   |vec|=    3.216154
                3s
                   +0 :              -0.00000000000000
                2p
                   -1 :               0.02584998134514
                   +0 :               0.05169996269028
                   +1 :              -0.02584998134514
                3p
                   -1 :              -0.00670597526066
                   +0 :              -0.01341195052132
                   +1 :               0.00670597526066
                3d
                   -2 :              -0.00716897992124
                   -1 :               0.00358448996062
                   +0 :              -0.00782856763502
                   +1 :              -0.00358448996062
                   +2 :               0.00000000000000
WF             site_B          number of pairs
WF(  3)=[Cr_3d+0]  to site F (  4)  npairs=   1
              1 vec=     1.856847     -1.856847     -1.856847   |vec|=    3.216154
                1s
                   +0 :               0.00000000000000
                2s
                   +0 :               0.00000000000000
                3s
                   +0 :              -0.00000000000000
                2p
                   -1 :              -0.02584998134514
                   +0 :               0.05169996269028
                   +1 :               0.02584998134514
                3p
                   -1 :               0.00670597526066
                   +0 :              -0.01341195052132
                   +1 :              -0.00670597526066
                3d
                   -2 :              -0.00716897992124
                   -1 :              -0.00358448996062
                   +0 :              -0.00782856763502
                   +1 :               0.00358448996062
                   +2 :               0.00000000000000
WF             site_B          number of pairs
WF(  3)=[Cr_3d+0]  to site F (  5)  npairs=   1
              1 vec=    -1.856847     -1.856847      1.856847   |vec|=    3.216154
                1s
                   +0 :               0.00000000000000
                2s
                   +0 :              -0.00000000000000
                3s
                   +0 :              -0.00000000000000
                2p
                   -1 :              -0.02584998134514
                   +0 :              -0.05169996269028
                   +1 :              -0.02584998134514
                3p
                   -1 :               0.00670597526066
                   +0 :               0.01341195052132
                   +1 :               0.00670597526066
                3d
                   -2 :               0.00716897992124
                   -1 :               0.00358448996062
                   +0 :              -0.00782856763502
                   +1 :               0.00358448996062
                   +2 :              -0.00000000000000
WF             site_B          number of pairs
WF(  4)=[Cr_3d+1]  to site Cr(  1)  npairs=   1
              1 vec=     0.000000      0.000000      0.000000   |vec|=    0.000000
                3p
                   -1 :              -0.01348818442142
                   +1 :               0.00000000000000
                3d
                   -2 :              -0.00000000000000
                   -1 :               0.00000000000000
                   +1 :               0.98856282389280
                   +2 :               0.00000000000000
                4d
                   -2 :              -0.00000000000000
                   -1 :               0.00000000000000
                   +0 :               0.00000000000000
                   +1 :               0.14828597708630
                   +2 :               0.00000000000000
                4p
                   -1 :              -0.04353635669227
                   +1 :               0.00000000000000
WF             site_B          number of pairs
WF(  4)=[Cr_3d+1]  to site F (  2)  npairs=   1
              1 vec=     1.856847      1.856847      1.856847   |vec|=    3.216154
                1s
                   +0 :              -0.01159000104534
                2s
                   +0 :               0.14537099673016
                3s
                   +0 :              -0.04516982513108
                2p
                   -1 :               0.04029323944871
                   +0 :              -0.05761517082534
                   +1 :              -0.05761517082534
                3p
                   -1 :              -0.03586423445322
                   +0 :              -0.01902977698960
                   +1 :              -0.01902977698960
                3d
                   -2 :               0.00568633610752
                   -1 :               0.00568633610752
                   +0 :              -0.00349820935867
                   +1 :               0.00438647917368
                   +2 :              -0.00605907634472
WF             site_B          number of pairs
WF(  4)=[Cr_3d+1]  to site F (  3)  npairs=   1
              1 vec=    -1.856847      1.856847     -1.856847   |vec|=    3.216154
                1s
                   +0 :              -0.01159000104534
                2s
                   +0 :               0.14537099673016
                3s
                   +0 :              -0.04516982513108
                2p
                   -1 :               0.04029323944871
                   +0 :               0.05761517082534
                   +1 :               0.05761517082534
                3p
                   -1 :              -0.03586423445322
                   +0 :               0.01902977698960
                   +1 :               0.01902977698960
                3d
                   -2 :              -0.00568633610752
                   -1 :              -0.00568633610752
                   +0 :              -0.00349820935867
                   +1 :               0.00438647917368
                   +2 :              -0.00605907634472
WF             site_B          number of pairs
WF(  4)=[Cr_3d+1]  to site F (  4)  npairs=   1
              1 vec=     1.856847     -1.856847     -1.856847   |vec|=    3.216154
                1s
                   +0 :               0.01159000104534
                2s
                   +0 :              -0.14537099673016
                3s
                   +0 :               0.04516982513108
                2p
                   -1 :               0.04029323944871
                   +0 :              -0.05761517082534
                   +1 :               0.05761517082534
                3p
                   -1 :              -0.03586423445322
                   +0 :              -0.01902977698960
                   +1 :               0.01902977698960
                3d
                   -2 :               0.00568633610752
                   -1 :              -0.00568633610752
                   +0 :               0.00349820935867
                   +1 :               0.00438647917368
                   +2 :               0.00605907634472
WF             site_B          number of pairs
WF(  4)=[Cr_3d+1]  to site F (  5)  npairs=   1
              1 vec=    -1.856847     -1.856847      1.856847   |vec|=    3.216154
                1s
                   +0 :               0.01159000104534
                2s
                   +0 :              -0.14537099673016
                3s
                   +0 :               0.04516982513108
                2p
                   -1 :               0.04029323944871
                   +0 :               0.05761517082534
                   +1 :              -0.05761517082534
                3p
                   -1 :              -0.03586423445322
                   +0 :               0.01902977698960
                   +1 :              -0.01902977698960
                3d
                   -2 :              -0.00568633610752
                   -1 :               0.00568633610752
                   +0 :               0.00349820935867
                   +1 :               0.00438647917368
                   +2 :               0.00605907634472
WF             site_B          number of pairs
WF(  5)=[Cr_3d+2]  to site Cr(  1)  npairs=   1
              1 vec=     0.000000      0.000000      0.000000   |vec|=    0.000000
                3s
                   +0 :              -0.00000000000000
                3p
                   -1 :               0.00000000000000
                   +0 :              -0.00000000000000
                   +1 :               0.00000000000000
                4s
                   +0 :               0.00000000000000
                3d
                   -2 :               0.00000000000000
                   -1 :               0.00000000000000
                   +0 :               0.00000000000000
                   +1 :              -0.00000000000000
                   +2 :               1.00057152078173
                4d
                   -2 :               0.00000000000000
                   -1 :               0.00000000000000
                   +0 :               0.00000000000000
                   +1 :              -0.00000000000000
                   +2 :               0.17642778228930
                4p
                   -1 :               0.00000000000000
                   +0 :               0.00000000000000
                   +1 :               0.00000000000000
WF             site_B          number of pairs
WF(  5)=[Cr_3d+2]  to site F (  2)  npairs=   1
              1 vec=     1.856847      1.856847      1.856847   |vec|=    3.216154
                1s
                   +0 :               0.00000000000000
                2s
                   +0 :               0.00000000000000
                2p
                   -1 :               0.04477348106449
                   +0 :              -0.00000000000000
                   +1 :              -0.04477348106449
                3p
                   -1 :              -0.01161508986576
                   +0 :              -0.00000000000000
                   +1 :               0.01161508986576
                3d
                   -2 :              -0.00000000000000
                   -1 :               0.00620851873101
                   +0 :               0.00000000000000
                   +1 :              -0.00620851873101
                   +2 :              -0.00782856763502
WF             site_B          number of pairs
WF(  5)=[Cr_3d+2]  to site F (  3)  npairs=   1
              1 vec=    -1.856847      1.856847     -1.856847   |vec|=    3.216154
                1s
                   +0 :              -0.00000000000000
                2p
                   -1 :               0.04477348106449
                   +0 :              -0.00000000000000
                   +1 :               0.04477348106449
                3p
                   -1 :              -0.01161508986576
                   +0 :              -0.00000000000000
                   +1 :              -0.01161508986576
                3d
                   -2 :              -0.00000000000000
                   -1 :              -0.00620851873101
                   +0 :              -0.00000000000000
                   +1 :              -0.00620851873101
                   +2 :              -0.00782856763502
WF             site_B          number of pairs
WF(  5)=[Cr_3d+2]  to site F (  4)  npairs=   1
              1 vec=     1.856847     -1.856847     -1.856847   |vec|=    3.216154
                1s
                   +0 :              -0.00000000000000
                2s
                   +0 :               0.00000000000000
                2p
                   -1 :              -0.04477348106449
                   +0 :              -0.00000000000000
                   +1 :              -0.04477348106449
                3p
                   -1 :               0.01161508986576
                   +1 :               0.01161508986576
                3d
                   -2 :              -0.00000000000000
                   -1 :               0.00620851873101
                   +0 :              -0.00000000000000
                   +1 :               0.00620851873101
                   +2 :              -0.00782856763502
WF             site_B          number of pairs
WF(  5)=[Cr_3d+2]  to site F (  5)  npairs=   1
              1 vec=    -1.856847     -1.856847      1.856847   |vec|=    3.216154
                2p
                   -1 :              -0.04477348106449
                   +0 :              -0.00000000000000
                   +1 :               0.04477348106449
                3p
                   -1 :               0.01161508986576
                   +0 :              -0.00000000000000
                   +1 :              -0.01161508986576
                3d
                   -2 :              -0.00000000000000
                   -1 :              -0.00620851873101
                   +0 :               0.00000000000000
                   +1 :               0.00620851873101
                   +2 :              -0.00782856763502
WF             site_B          number of pairs
WF(  6)=[F_1_3p-1]  to site Cr(  1)  npairs=   1
              1 vec=    -1.856847     -1.856847     -1.856847   |vec|=    3.216154
                3s
                   +0 :               0.06718004589130
                3p
                   -1 :              -0.07772762744935
                   +0 :               0.01374799701121
                   +1 :               0.01374799701121
                4s
                   +0 :              -0.44330710453984
                5s
                   +0 :               0.02496514317676
                3d
                   -2 :               0.00593960881594
                   -1 :               0.00593960881594
                   +0 :              -0.01127578831939
                   +1 :               0.12661150909413
                   +2 :              -0.01953023826457
                4d
                   -2 :              -0.00359292602112
                   -1 :              -0.00359292602112
                   +0 :              -0.00780962776527
                   +1 :               0.01483546980784
                   +2 :              -0.01352667207765
                4p
                   -1 :              -0.06805272243032
                   +0 :               0.03481024603075
                   +1 :               0.03481024603075
WF             site_B          number of pairs
WF(  6)=[F_1_3p-1]  to site F (  2)  npairs=   1
              1 vec=     0.000000      0.000000      0.000000   |vec|=    0.000000
                1s
                   +0 :              -0.01578915882309
                2s
                   +0 :               0.13966641486275
                3s
                   +0 :              -0.06198048736772
                2p
                   -1 :               0.10684611614433
                   +0 :               0.16028383596071
                   +1 :               0.16028383596071
                3p
                   -1 :              -0.03074797635089
                   +0 :              -0.01698024302815
                   +1 :              -0.01698024302815
                3d
                   -2 :              -0.00393977861067
                   -1 :              -0.00393977861067
                   +0 :              -0.00063361704852
                   +1 :              -0.00448033864424
                   +2 :              -0.00109745692057
WF             site_B          number of pairs
WF(  6)=[F_1_3p-1]  to site F (  3)  npairs=   1
              1 vec=    -3.713694      0.000000     -3.713694   |vec|=    5.251957
                1s
                   +0 :              -0.00964349439677
                2s
                   +0 :               0.08558598802101
                3s
                   +0 :              -0.02968544950701
                2p
                   -1 :              -0.15200724608761
                   +0 :              -0.24726170178582
                   +1 :              -0.24726170178582
                3p
                   -1 :              -0.00841236104211
                   +0 :               0.01238103368022
                   +1 :               0.01238103368022
                3d
                   -2 :               0.00095753198747
                   -1 :               0.00095753198747
                   +0 :              -0.00415818194880
                   +1 :              -0.00577623361687
                   +2 :              -0.00720218240244
WF             site_B          number of pairs
WF(  6)=[F_1_3p-1]  to site F (  4)  npairs=   1
              1 vec=     0.000000     -3.713694     -3.713694   |vec|=    5.251957
                1s
                   +0 :              -0.01251805436944
                2s
                   +0 :               0.13906855476857
                3s
                   +0 :              -0.04532515041501
                2p
                   -1 :               0.33959281014635
                   +0 :               0.41005643416620
                   +1 :               0.26518138104106
                3p
                   -1 :              -0.00325404762591
                   +0 :               0.00087772948648
                   +1 :              -0.01635436705038
                3d
                   -2 :               0.00150508932986
                   -1 :               0.00726297189443
                   +0 :               0.00705142119267
                   +1 :              -0.00044786219563
                   +2 :              -0.00563686095164
WF             site_B          number of pairs
WF(  6)=[F_1_3p-1]  to site F (  5)  npairs=   1
              1 vec=    -3.713694     -3.713694      0.000000   |vec|=    5.251957
                1s
                   +0 :              -0.01251805436944
                2s
                   +0 :               0.13906855476857
                3s
                   +0 :              -0.04532515041501
                2p
                   -1 :               0.33959281014635
                   +0 :               0.26518138104106
                   +1 :               0.41005643416620
                3p
                   -1 :              -0.00325404762591
                   +0 :              -0.01635436705038
                   +1 :               0.00087772948648
                3d
                   -2 :               0.00726297189443
                   -1 :               0.00150508932986
                   +0 :              -0.00840737537805
                   +1 :              -0.00044786219563
                   +2 :               0.00328827940982
WF             site_B          number of pairs
WF(  7)=[F_1_3p+0]  to site Cr(  1)  npairs=   1
              1 vec=    -1.856847     -1.856847     -1.856847   |vec|=    3.216154
                3s
                   +0 :               0.06718004589130
                3p
                   -1 :               0.01374799701121
                   +0 :              -0.07772762744935
                   +1 :               0.01374799701121
                4s
                   +0 :              -0.44330710453984
                5s
                   +0 :               0.02496514317676
                3d
                   -2 :               0.12661150909413
                   -1 :               0.00593960881594
                   +0 :               0.02255157663878
                   +1 :               0.00593960881594
                   +2 :              -0.00000000000000
                4d
                   -2 :               0.01483546980784
                   -1 :              -0.00359292602112
                   +0 :               0.01561925553055
                   +1 :              -0.00359292602112
                   +2 :              -0.00000000000000
                4p
                   -1 :               0.03481024603075
                   +0 :              -0.06805272243032
                   +1 :               0.03481024603075
WF             site_B          number of pairs
WF(  7)=[F_1_3p+0]  to site F (  2)  npairs=   1
              1 vec=     0.000000      0.000000      0.000000   |vec|=    0.000000
                1s
                   +0 :              -0.01578915882309
                2s
                   +0 :               0.13966641486275
                3s
                   +0 :              -0.06198048736772
                2p
                   -1 :               0.16028383596071
                   +0 :               0.10684611614433
                   +1 :               0.16028383596071
                3p
                   -1 :              -0.01698024302815
                   +0 :              -0.03074797635089
                   +1 :              -0.01698024302815
                3d
                   -2 :              -0.00448033864424
                   -1 :              -0.00393977861067
                   +0 :               0.00126723409704
                   +1 :              -0.00393977861067
                   +2 :               0.00000000000000
WF             site_B          number of pairs
WF(  7)=[F_1_3p+0]  to site F (  3)  npairs=   1
              1 vec=    -3.713694      0.000000     -3.713694   |vec|=    5.251957
                1s
                   +0 :              -0.01251805436944
                2s
                   +0 :               0.13906855476857
                3s
                   +0 :              -0.04532515041501
                2p
                   -1 :               0.26518138104106
                   +0 :               0.33959281014635
                   +1 :               0.41005643416620
                3p
                   -1 :              -0.01635436705038
                   +0 :              -0.00325404762591
                   +1 :               0.00087772948648
                3d
                   -2 :              -0.00044786219563
                   -1 :               0.00150508932986
                   +0 :               0.00135595418538
                   +1 :               0.00726297189443
                   +2 :               0.00892514036145
WF             site_B          number of pairs
WF(  7)=[F_1_3p+0]  to site F (  4)  npairs=   1
              1 vec=     0.000000     -3.713694     -3.713694   |vec|=    5.251957
                1s
                   +0 :              -0.01251805436944
                2s
                   +0 :               0.13906855476857
                3s
                   +0 :              -0.04532515041501
                2p
                   -1 :               0.41005643416620
                   +0 :               0.33959281014635
                   +1 :               0.26518138104106
                3p
                   -1 :               0.00087772948648
                   +0 :              -0.00325404762591
                   +1 :              -0.01635436705038
                3d
                   -2 :              -0.00044786219563
                   -1 :               0.00726297189443
                   +0 :               0.00135595418538
                   +1 :               0.00150508932986
                   +2 :              -0.00892514036145
WF             site_B          number of pairs
WF(  7)=[F_1_3p+0]  to site F (  5)  npairs=   1
              1 vec=    -3.713694     -3.713694      0.000000   |vec|=    5.251957
                1s
                   +0 :              -0.00964349439677
                2s
                   +0 :               0.08558598802101
                3s
                   +0 :              -0.02968544950701
                2p
                   -1 :              -0.24726170178582
                   +0 :              -0.15200724608761
                   +1 :              -0.24726170178582
                3p
                   -1 :               0.01238103368022
                   +0 :              -0.00841236104211
                   +1 :               0.01238103368022
                3d
                   -2 :              -0.00577623361687
                   -1 :               0.00095753198747
                   +0 :               0.00831636389761
                   +1 :               0.00095753198747
                   +2 :               0.00000000000000
WF             site_B          number of pairs
WF(  8)=[F_1_3p+1]  to site Cr(  1)  npairs=   1
              1 vec=    -1.856847     -1.856847     -1.856847   |vec|=    3.216154
                3s
                   +0 :               0.06718004589130
                3p
                   -1 :               0.01374799701121
                   +0 :               0.01374799701121
                   +1 :              -0.07772762744935
                4s
                   +0 :              -0.44330710453984
                5s
                   +0 :               0.02496514317676
                3d
                   -2 :               0.00593960881594
                   -1 :               0.12661150909413
                   +0 :              -0.01127578831939
                   +1 :               0.00593960881594
                   +2 :               0.01953023826457
                4d
                   -2 :              -0.00359292602112
                   -1 :               0.01483546980784
                   +0 :              -0.00780962776527
                   +1 :              -0.00359292602112
                   +2 :               0.01352667207765
                4p
                   -1 :               0.03481024603075
                   +0 :               0.03481024603075
                   +1 :              -0.06805272243032
WF             site_B          number of pairs
WF(  8)=[F_1_3p+1]  to site F (  2)  npairs=   1
              1 vec=     0.000000      0.000000      0.000000   |vec|=    0.000000
                1s
                   +0 :              -0.01578915882309
                2s
                   +0 :               0.13966641486275
                3s
                   +0 :              -0.06198048736772
                2p
                   -1 :               0.16028383596071
                   +0 :               0.16028383596071
                   +1 :               0.10684611614433
                3p
                   -1 :              -0.01698024302815
                   +0 :              -0.01698024302815
                   +1 :              -0.03074797635089
                3d
                   -2 :              -0.00393977861067
                   -1 :              -0.00448033864424
                   +0 :              -0.00063361704852
                   +1 :              -0.00393977861067
                   +2 :               0.00109745692057
WF             site_B          number of pairs
WF(  8)=[F_1_3p+1]  to site F (  3)  npairs=   1
              1 vec=    -3.713694      0.000000     -3.713694   |vec|=    5.251957
                1s
                   +0 :              -0.01251805436944
                2s
                   +0 :               0.13906855476857
                3s
                   +0 :              -0.04532515041501
                2p
                   -1 :               0.26518138104106
                   +0 :               0.41005643416620
                   +1 :               0.33959281014635
                3p
                   -1 :              -0.01635436705038
                   +0 :               0.00087772948648
                   +1 :              -0.00325404762591
                3d
                   -2 :               0.00150508932986
                   -1 :              -0.00044786219563
                   +0 :               0.00705142119267
                   +1 :               0.00726297189443
                   +2 :               0.00563686095164
WF             site_B          number of pairs
WF(  8)=[F_1_3p+1]  to site F (  4)  npairs=   1
              1 vec=     0.000000     -3.713694     -3.713694   |vec|=    5.251957
                1s
                   +0 :              -0.00964349439677
                2s
                   +0 :               0.08558598802101
                3s
                   +0 :              -0.02968544950701
                2p
                   -1 :              -0.24726170178582
                   +0 :              -0.24726170178582
                   +1 :              -0.15200724608761
                3p
                   -1 :               0.01238103368022
                   +0 :               0.01238103368022
                   +1 :              -0.00841236104211
                3d
                   -2 :               0.00095753198747
                   -1 :              -0.00577623361687
                   +0 :              -0.00415818194880
                   +1 :               0.00095753198747
                   +2 :               0.00720218240244
WF             site_B          number of pairs
WF(  8)=[F_1_3p+1]  to site F (  5)  npairs=   1
              1 vec=    -3.713694     -3.713694      0.000000   |vec|=    5.251957
                1s
                   +0 :              -0.01251805436944
                2s
                   +0 :               0.13906855476857
                3s
                   +0 :              -0.04532515041501
                2p
                   -1 :               0.41005643416620
                   +0 :               0.26518138104106
                   +1 :               0.33959281014635
                3p
                   -1 :               0.00087772948648
                   +0 :              -0.01635436705038
                   +1 :              -0.00325404762591
                3d
                   -2 :               0.00726297189443
                   -1 :              -0.00044786219563
                   +0 :              -0.00840737537805
                   +1 :               0.00150508932986
                   +2 :              -0.00328827940982
WF             site_B          number of pairs
WF(  9)=[F_2_3p-1]  to site Cr(  1)  npairs=   1
              1 vec=     1.856847     -1.856847      1.856847   |vec|=    3.216154
                3s
                   +0 :               0.06718004589130
                3p
                   -1 :              -0.07772762744935
                   +0 :              -0.01374799701121
                   +1 :              -0.01374799701121
                4s
                   +0 :              -0.44330710453984
                5s
                   +0 :               0.02496514317676
                3d
                   -2 :              -0.00593960881594
                   -1 :              -0.00593960881594
                   +0 :              -0.01127578831939
                   +1 :               0.12661150909413
                   +2 :              -0.01953023826457
                4d
                   -2 :               0.00359292602112
                   -1 :               0.00359292602112
                   +0 :              -0.00780962776527
                   +1 :               0.01483546980784
                   +2 :              -0.01352667207765
                4p
                   -1 :              -0.06805272243032
                   +0 :              -0.03481024603075
                   +1 :              -0.03481024603075
WF             site_B          number of pairs
WF(  9)=[F_2_3p-1]  to site F (  2)  npairs=   1
              1 vec=     3.713694      0.000000      3.713694   |vec|=    5.251957
                1s
                   +0 :              -0.00964349439677
                2s
                   +0 :               0.08558598802101
                3s
                   +0 :              -0.02968544950701
                2p
                   -1 :              -0.15200724608761
                   +0 :               0.24726170178582
                   +1 :               0.24726170178582
                3p
                   -1 :              -0.00841236104211
                   +0 :              -0.01238103368022
                   +1 :              -0.01238103368022
                3d
                   -2 :              -0.00095753198747
                   -1 :              -0.00095753198747
                   +0 :              -0.00415818194880
                   +1 :              -0.00577623361687
                   +2 :              -0.00720218240244
WF             site_B          number of pairs
WF(  9)=[F_2_3p-1]  to site F (  3)  npairs=   1
              1 vec=     0.000000      0.000000      0.000000   |vec|=    0.000000
                1s
                   +0 :              -0.01578915882309
                2s
                   +0 :               0.13966641486275
                3s
                   +0 :              -0.06198048736772
                2p
                   -1 :               0.10684611614433
                   +0 :              -0.16028383596071
                   +1 :              -0.16028383596071
                3p
                   -1 :              -0.03074797635089
                   +0 :               0.01698024302815
                   +1 :               0.01698024302815
                3d
                   -2 :               0.00393977861067
                   -1 :               0.00393977861067
                   +0 :              -0.00063361704852
                   +1 :              -0.00448033864424
                   +2 :              -0.00109745692057
WF             site_B          number of pairs
WF(  9)=[F_2_3p-1]  to site F (  4)  npairs=   1
              1 vec=     3.713694     -3.713694      0.000000   |vec|=    5.251957
                1s
                   +0 :              -0.01251805436944
                2s
                   +0 :               0.13906855476857
                3s
                   +0 :              -0.04532515041501
                2p
                   -1 :               0.33959281014635
                   +0 :              -0.26518138104106
                   +1 :              -0.41005643416620
                3p
                   -1 :              -0.00325404762591
                   +0 :               0.01635436705038
                   +1 :              -0.00087772948648
                3d
                   -2 :              -0.00726297189443
                   -1 :              -0.00150508932986
                   +0 :              -0.00840737537805
                   +1 :              -0.00044786219563
                   +2 :               0.00328827940982
WF             site_B          number of pairs
WF(  9)=[F_2_3p-1]  to site F (  5)  npairs=   1
              1 vec=     0.000000     -3.713694      3.713694   |vec|=    5.251957
                1s
                   +0 :              -0.01251805436944
                2s
                   +0 :               0.13906855476857
                3s
                   +0 :              -0.04532515041501
                2p
                   -1 :               0.33959281014635
                   +0 :              -0.41005643416620
                   +1 :              -0.26518138104106
                3p
                   -1 :              -0.00325404762591
                   +0 :              -0.00087772948648
                   +1 :               0.01635436705038
                3d
                   -2 :              -0.00150508932986
                   -1 :              -0.00726297189443
                   +0 :               0.00705142119267
                   +1 :              -0.00044786219563
                   +2 :              -0.00563686095164
WF             site_B          number of pairs
WF( 10)=[F_2_3p+0]  to site Cr(  1)  npairs=   1
              1 vec=     1.856847     -1.856847      1.856847   |vec|=    3.216154
                3s
                   +0 :              -0.06718004589130
                3p
                   -1 :              -0.01374799701121
                   +0 :              -0.07772762744935
                   +1 :               0.01374799701121
                4s
                   +0 :               0.44330710453984
                5s
                   +0 :              -0.02496514317676
                3d
                   -2 :               0.12661150909413
                   -1 :               0.00593960881594
                   +0 :              -0.02255157663878
                   +1 :              -0.00593960881594
                   +2 :              -0.00000000000000
                4d
                   -2 :               0.01483546980784
                   -1 :              -0.00359292602112
                   +0 :              -0.01561925553055
                   +1 :               0.00359292602112
                   +2 :              -0.00000000000000
                4p
                   -1 :              -0.03481024603075
                   +0 :              -0.06805272243032
                   +1 :               0.03481024603075
WF             site_B          number of pairs
WF( 10)=[F_2_3p+0]  to site F (  2)  npairs=   1
              1 vec=     3.713694      0.000000      3.713694   |vec|=    5.251957
                1s
                   +0 :               0.01251805436944
                2s
                   +0 :              -0.13906855476857
                3s
                   +0 :               0.04532515041501
                2p
                   -1 :              -0.26518138104106
                   +0 :               0.33959281014635
                   +1 :               0.41005643416620
                3p
                   -1 :               0.01635436705038
                   +0 :              -0.00325404762591
                   +1 :               0.00087772948648
                3d
                   -2 :              -0.00044786219563
                   -1 :               0.00150508932986
                   +0 :              -0.00135595418538
                   +1 :              -0.00726297189443
                   +2 :              -0.00892514036145
WF             site_B          number of pairs
WF( 10)=[F_2_3p+0]  to site F (  3)  npairs=   1
              1 vec=     0.000000      0.000000      0.000000   |vec|=    0.000000
                1s
                   +0 :               0.01578915882309
                2s
                   +0 :              -0.13966641486275
                3s
                   +0 :               0.06198048736772
                2p
                   -1 :              -0.16028383596071
                   +0 :               0.10684611614433
                   +1 :               0.16028383596071
                3p
                   -1 :               0.01698024302815
                   +0 :              -0.03074797635089
                   +1 :              -0.01698024302815
                3d
                   -2 :              -0.00448033864424
                   -1 :              -0.00393977861067
                   +0 :              -0.00126723409704
                   +1 :               0.00393977861067
                   +2 :               0.00000000000000
WF             site_B          number of pairs
WF( 10)=[F_2_3p+0]  to site F (  4)  npairs=   1
              1 vec=     3.713694     -3.713694      0.000000   |vec|=    5.251957
                1s
                   +0 :               0.00964349439677
                2s
                   +0 :              -0.08558598802101
                3s
                   +0 :               0.02968544950701
                2p
                   -1 :               0.24726170178582
                   +0 :              -0.15200724608761
                   +1 :              -0.24726170178582
                3p
                   -1 :              -0.01238103368022
                   +0 :              -0.00841236104211
                   +1 :               0.01238103368022
                3d
                   -2 :              -0.00577623361687
                   -1 :               0.00095753198747
                   +0 :              -0.00831636389761
                   +1 :              -0.00095753198747
                   +2 :               0.00000000000000
WF             site_B          number of pairs
WF( 10)=[F_2_3p+0]  to site F (  5)  npairs=   1
              1 vec=     0.000000     -3.713694      3.713694   |vec|=    5.251957
                1s
                   +0 :               0.01251805436944
                2s
                   +0 :              -0.13906855476857
                3s
                   +0 :               0.04532515041501
                2p
                   -1 :              -0.41005643416620
                   +0 :               0.33959281014635
                   +1 :               0.26518138104106
                3p
                   -1 :              -0.00087772948648
                   +0 :              -0.00325404762591
                   +1 :              -0.01635436705038
                3d
                   -2 :              -0.00044786219563
                   -1 :               0.00726297189443
                   +0 :              -0.00135595418538
                   +1 :              -0.00150508932986
                   +2 :               0.00892514036145
WF             site_B          number of pairs
WF( 11)=[F_2_3p+1]  to site Cr(  1)  npairs=   1
              1 vec=     1.856847     -1.856847      1.856847   |vec|=    3.216154
                3s
                   +0 :              -0.06718004589130
                3p
                   -1 :              -0.01374799701121
                   +0 :               0.01374799701121
                   +1 :              -0.07772762744935
                4s
                   +0 :               0.44330710453984
                5s
                   +0 :              -0.02496514317676
                3d
                   -2 :               0.00593960881594
                   -1 :               0.12661150909413
                   +0 :               0.01127578831939
                   +1 :              -0.00593960881594
                   +2 :              -0.01953023826457
                4d
                   -2 :              -0.00359292602112
                   -1 :               0.01483546980784
                   +0 :               0.00780962776527
                   +1 :               0.00359292602112
                   +2 :              -0.01352667207765
                4p
                   -1 :              -0.03481024603075
                   +0 :               0.03481024603075
                   +1 :              -0.06805272243032
WF             site_B          number of pairs
WF( 11)=[F_2_3p+1]  to site F (  2)  npairs=   1
              1 vec=     3.713694      0.000000      3.713694   |vec|=    5.251957
                1s
                   +0 :               0.01251805436944
                2s
                   +0 :              -0.13906855476857
                3s
                   +0 :               0.04532515041501
                2p
                   -1 :              -0.26518138104106
                   +0 :               0.41005643416620
                   +1 :               0.33959281014635
                3p
                   -1 :               0.01635436705038
                   +0 :               0.00087772948648
                   +1 :              -0.00325404762591
                3d
                   -2 :               0.00150508932986
                   -1 :              -0.00044786219563
                   +0 :              -0.00705142119267
                   +1 :              -0.00726297189443
                   +2 :              -0.00563686095164
WF             site_B          number of pairs
WF( 11)=[F_2_3p+1]  to site F (  3)  npairs=   1
              1 vec=     0.000000      0.000000      0.000000   |vec|=    0.000000
                1s
                   +0 :               0.01578915882309
                2s
                   +0 :              -0.13966641486275
                3s
                   +0 :               0.06198048736772
                2p
                   -1 :              -0.16028383596071
                   +0 :               0.16028383596071
                   +1 :               0.10684611614433
                3p
                   -1 :               0.01698024302815
                   +0 :              -0.01698024302815
                   +1 :              -0.03074797635089
                3d
                   -2 :              -0.00393977861067
                   -1 :              -0.00448033864424
                   +0 :               0.00063361704852
                   +1 :               0.00393977861067
                   +2 :              -0.00109745692057
WF             site_B          number of pairs
WF( 11)=[F_2_3p+1]  to site F (  4)  npairs=   1
              1 vec=     3.713694     -3.713694      0.000000   |vec|=    5.251957
                1s
                   +0 :               0.01251805436944
                2s
                   +0 :              -0.13906855476857
                3s
                   +0 :               0.04532515041501
                2p
                   -1 :              -0.41005643416620
                   +0 :               0.26518138104106
                   +1 :               0.33959281014635
                3p
                   -1 :              -0.00087772948648
                   +0 :              -0.01635436705038
                   +1 :              -0.00325404762591
                3d
                   -2 :               0.00726297189443
                   -1 :              -0.00044786219563
                   +0 :               0.00840737537805
                   +1 :              -0.00150508932986
                   +2 :               0.00328827940982
WF             site_B          number of pairs
WF( 11)=[F_2_3p+1]  to site F (  5)  npairs=   1
              1 vec=     0.000000     -3.713694      3.713694   |vec|=    5.251957
                1s
                   +0 :               0.00964349439677
                2s
                   +0 :              -0.08558598802101
                3s
                   +0 :               0.02968544950701
                2p
                   -1 :               0.24726170178582
                   +0 :              -0.24726170178582
                   +1 :              -0.15200724608761
                3p
                   -1 :              -0.01238103368022
                   +0 :               0.01238103368022
                   +1 :              -0.00841236104211
                3d
                   -2 :               0.00095753198747
                   -1 :              -0.00577623361687
                   +0 :               0.00415818194880
                   +1 :              -0.00095753198747
                   +2 :              -0.00720218240244
WF             site_B          number of pairs
WF( 12)=[F_3_3p-1]  to site Cr(  1)  npairs=   1
              1 vec=    -1.856847      1.856847      1.856847   |vec|=    3.216154
                3s
                   +0 :              -0.06718004589130
                3p
                   -1 :              -0.07772762744935
                   +0 :               0.01374799701121
                   +1 :              -0.01374799701121
                4s
                   +0 :               0.44330710453984
                5s
                   +0 :              -0.02496514317676
                3d
                   -2 :               0.00593960881594
                   -1 :              -0.00593960881594
                   +0 :               0.01127578831939
                   +1 :               0.12661150909413
                   +2 :               0.01953023826457
                4d
                   -2 :              -0.00359292602112
                   -1 :               0.00359292602112
                   +0 :               0.00780962776527
                   +1 :               0.01483546980784
                   +2 :               0.01352667207765
                4p
                   -1 :              -0.06805272243032
                   +0 :               0.03481024603075
                   +1 :              -0.03481024603075
WF             site_B          number of pairs
WF( 12)=[F_3_3p-1]  to site F (  2)  npairs=   1
              1 vec=     0.000000      3.713694      3.713694   |vec|=    5.251957
                1s
                   +0 :               0.01251805436944
                2s
                   +0 :              -0.13906855476857
                3s
                   +0 :               0.04532515041501
                2p
                   -1 :               0.33959281014635
                   +0 :               0.41005643416620
                   +1 :              -0.26518138104106
                3p
                   -1 :              -0.00325404762591
                   +0 :               0.00087772948648
                   +1 :               0.01635436705038
                3d
                   -2 :               0.00150508932986
                   -1 :              -0.00726297189443
                   +0 :              -0.00705142119267
                   +1 :              -0.00044786219563
                   +2 :               0.00563686095164
WF             site_B          number of pairs
WF( 12)=[F_3_3p-1]  to site F (  3)  npairs=   1
              1 vec=    -3.713694      3.713694      0.000000   |vec|=    5.251957
                1s
                   +0 :               0.01251805436944
                2s
                   +0 :              -0.13906855476857
                3s
                   +0 :               0.04532515041501
                2p
                   -1 :               0.33959281014635
                   +0 :               0.26518138104106
                   +1 :              -0.41005643416620
                3p
                   -1 :              -0.00325404762591
                   +0 :              -0.01635436705038
                   +1 :              -0.00087772948648
                3d
                   -2 :               0.00726297189443
                   -1 :              -0.00150508932986
                   +0 :               0.00840737537805
                   +1 :              -0.00044786219563
                   +2 :              -0.00328827940982
WF             site_B          number of pairs
WF( 12)=[F_3_3p-1]  to site F (  4)  npairs=   1
              1 vec=     0.000000      0.000000      0.000000   |vec|=    0.000000
                1s
                   +0 :               0.01578915882309
                2s
                   +0 :              -0.13966641486275
                3s
                   +0 :               0.06198048736772
                2p
                   -1 :               0.10684611614433
                   +0 :               0.16028383596071
                   +1 :              -0.16028383596071
                3p
                   -1 :              -0.03074797635089
                   +0 :              -0.01698024302815
                   +1 :               0.01698024302815
                3d
                   -2 :              -0.00393977861067
                   -1 :               0.00393977861067
                   +0 :               0.00063361704852
                   +1 :              -0.00448033864424
                   +2 :               0.00109745692057
WF             site_B          number of pairs
WF( 12)=[F_3_3p-1]  to site F (  5)  npairs=   1
              1 vec=    -3.713694      0.000000      3.713694   |vec|=    5.251957
                1s
                   +0 :               0.00964349439677
                2s
                   +0 :              -0.08558598802101
                3s
                   +0 :               0.02968544950701
                2p
                   -1 :              -0.15200724608761
                   +0 :              -0.24726170178582
                   +1 :               0.24726170178582
                3p
                   -1 :              -0.00841236104211
                   +0 :               0.01238103368022
                   +1 :              -0.01238103368022
                3d
                   -2 :               0.00095753198747
                   -1 :              -0.00095753198747
                   +0 :               0.00415818194880
                   +1 :              -0.00577623361687
                   +2 :               0.00720218240244
WF             site_B          number of pairs
WF( 13)=[F_3_3p+0]  to site Cr(  1)  npairs=   1
              1 vec=    -1.856847      1.856847      1.856847   |vec|=    3.216154
                3s
                   +0 :              -0.06718004589130
                3p
                   -1 :               0.01374799701121
                   +0 :              -0.07772762744935
                   +1 :              -0.01374799701121
                4s
                   +0 :               0.44330710453984
                5s
                   +0 :              -0.02496514317676
                3d
                   -2 :               0.12661150909413
                   -1 :              -0.00593960881594
                   +0 :              -0.02255157663878
                   +1 :               0.00593960881594
                   +2 :              -0.00000000000000
                4d
                   -2 :               0.01483546980784
                   -1 :               0.00359292602112
                   +0 :              -0.01561925553055
                   +1 :              -0.00359292602112
                   +2 :              -0.00000000000000
                4p
                   -1 :               0.03481024603075
                   +0 :              -0.06805272243032
                   +1 :              -0.03481024603075
WF             site_B          number of pairs
WF( 13)=[F_3_3p+0]  to site F (  2)  npairs=   1
              1 vec=     0.000000      3.713694      3.713694   |vec|=    5.251957
                1s
                   +0 :               0.01251805436944
                2s
                   +0 :              -0.13906855476857
                3s
                   +0 :               0.04532515041501
                2p
                   -1 :               0.41005643416620
                   +0 :               0.33959281014635
                   +1 :              -0.26518138104106
                3p
                   -1 :               0.00087772948648
                   +0 :              -0.00325404762591
                   +1 :               0.01635436705038
                3d
                   -2 :              -0.00044786219563
                   -1 :              -0.00726297189443
                   +0 :              -0.00135595418538
                   +1 :               0.00150508932986
                   +2 :               0.00892514036145
WF             site_B          number of pairs
WF( 13)=[F_3_3p+0]  to site F (  3)  npairs=   1
              1 vec=    -3.713694      3.713694      0.000000   |vec|=    5.251957
                1s
                   +0 :               0.00964349439677
                2s
                   +0 :              -0.08558598802101
                3s
                   +0 :               0.02968544950701
                2p
                   -1 :              -0.24726170178582
                   +0 :              -0.15200724608761
                   +1 :               0.24726170178582
                3p
                   -1 :               0.01238103368022
                   +0 :              -0.00841236104211
                   +1 :              -0.01238103368022
                3d
                   -2 :              -0.00577623361687
                   -1 :              -0.00095753198747
                   +0 :              -0.00831636389761
                   +1 :               0.00095753198747
                   +2 :               0.00000000000000
WF             site_B          number of pairs
WF( 13)=[F_3_3p+0]  to site F (  4)  npairs=   1
              1 vec=     0.000000      0.000000      0.000000   |vec|=    0.000000
                1s
                   +0 :               0.01578915882309
                2s
                   +0 :              -0.13966641486275
                3s
                   +0 :               0.06198048736772
                2p
                   -1 :               0.16028383596071
                   +0 :               0.10684611614433
                   +1 :              -0.16028383596071
                3p
                   -1 :              -0.01698024302815
                   +0 :              -0.03074797635089
                   +1 :               0.01698024302815
                3d
                   -2 :              -0.00448033864424
                   -1 :               0.00393977861067
                   +0 :              -0.00126723409704
                   +1 :              -0.00393977861067
                   +2 :               0.00000000000000
WF             site_B          number of pairs
WF( 13)=[F_3_3p+0]  to site F (  5)  npairs=   1
              1 vec=    -3.713694      0.000000      3.713694   |vec|=    5.251957
                1s
                   +0 :               0.01251805436944
                2s
                   +0 :              -0.13906855476857
                3s
                   +0 :               0.04532515041501
                2p
                   -1 :               0.26518138104106
                   +0 :               0.33959281014635
                   +1 :              -0.41005643416620
                3p
                   -1 :              -0.01635436705038
                   +0 :              -0.00325404762591
                   +1 :              -0.00087772948648
                3d
                   -2 :              -0.00044786219563
                   -1 :              -0.00150508932986
                   +0 :              -0.00135595418538
                   +1 :               0.00726297189443
                   +2 :              -0.00892514036145
WF             site_B          number of pairs
WF( 14)=[F_3_3p+1]  to site Cr(  1)  npairs=   1
              1 vec=    -1.856847      1.856847      1.856847   |vec|=    3.216154
                3s
                   +0 :               0.06718004589130
                3p
                   -1 :              -0.01374799701121
                   +0 :              -0.01374799701121
                   +1 :              -0.07772762744935
                4s
                   +0 :              -0.44330710453984
                5s
                   +0 :               0.02496514317676
                3d
                   -2 :              -0.00593960881594
                   -1 :               0.12661150909413
                   +0 :              -0.01127578831939
                   +1 :              -0.00593960881594
                   +2 :               0.01953023826457
                4d
                   -2 :               0.00359292602112
                   -1 :               0.01483546980784
                   +0 :              -0.00780962776527
                   +1 :               0.00359292602112
                   +2 :               0.01352667207765
                4p
                   -1 :              -0.03481024603075
                   +0 :              -0.03481024603075
                   +1 :              -0.06805272243032
WF             site_B          number of pairs
WF( 14)=[F_3_3p+1]  to site F (  2)  npairs=   1
              1 vec=     0.000000      3.713694      3.713694   |vec|=    5.251957
                1s
                   +0 :              -0.00964349439677
                2s
                   +0 :               0.08558598802101
                3s
                   +0 :              -0.02968544950701
                2p
                   -1 :               0.24726170178582
                   +0 :               0.24726170178582
                   +1 :              -0.15200724608761
                3p
                   -1 :              -0.01238103368022
                   +0 :              -0.01238103368022
                   +1 :              -0.00841236104211
                3d
                   -2 :              -0.00095753198747
                   -1 :              -0.00577623361687
                   +0 :              -0.00415818194880
                   +1 :              -0.00095753198747
                   +2 :               0.00720218240244
WF             site_B          number of pairs
WF( 14)=[F_3_3p+1]  to site F (  3)  npairs=   1
              1 vec=    -3.713694      3.713694      0.000000   |vec|=    5.251957
                1s
                   +0 :              -0.01251805436944
                2s
                   +0 :               0.13906855476857
                3s
                   +0 :              -0.04532515041501
                2p
                   -1 :              -0.41005643416620
                   +0 :              -0.26518138104106
                   +1 :               0.33959281014635
                3p
                   -1 :              -0.00087772948648
                   +0 :               0.01635436705038
                   +1 :              -0.00325404762591
                3d
                   -2 :              -0.00726297189443
                   -1 :              -0.00044786219563
                   +0 :              -0.00840737537805
                   +1 :              -0.00150508932986
                   +2 :              -0.00328827940982
WF             site_B          number of pairs
WF( 14)=[F_3_3p+1]  to site F (  4)  npairs=   1
              1 vec=     0.000000      0.000000      0.000000   |vec|=    0.000000
                1s
                   +0 :              -0.01578915882309
                2s
                   +0 :               0.13966641486275
                3s
                   +0 :              -0.06198048736772
                2p
                   -1 :              -0.16028383596071
                   +0 :              -0.16028383596071
                   +1 :               0.10684611614433
                3p
                   -1 :               0.01698024302815
                   +0 :               0.01698024302815
                   +1 :              -0.03074797635089
                3d
                   -2 :               0.00393977861067
                   -1 :              -0.00448033864424
                   +0 :              -0.00063361704852
                   +1 :               0.00393977861067
                   +2 :               0.00109745692057
WF             site_B          number of pairs
WF( 14)=[F_3_3p+1]  to site F (  5)  npairs=   1
              1 vec=    -3.713694      0.000000      3.713694   |vec|=    5.251957
                1s
                   +0 :              -0.01251805436944
                2s
                   +0 :               0.13906855476857
                3s
                   +0 :              -0.04532515041501
                2p
                   -1 :              -0.26518138104106
                   +0 :              -0.41005643416620
                   +1 :               0.33959281014635
                3p
                   -1 :               0.01635436705038
                   +0 :              -0.00087772948648
                   +1 :              -0.00325404762591
                3d
                   -2 :              -0.00150508932986
                   -1 :              -0.00044786219563
                   +0 :               0.00705142119267
                   +1 :              -0.00726297189443
                   +2 :               0.00563686095164
WF             site_B          number of pairs
WF( 15)=[F_4_3p-1]  to site Cr(  1)  npairs=   1
              1 vec=     1.856847      1.856847     -1.856847   |vec|=    3.216154
                3s
                   +0 :              -0.06718004589130
                3p
                   -1 :              -0.07772762744935
                   +0 :              -0.01374799701121
                   +1 :               0.01374799701121
                4s
                   +0 :               0.44330710453984
                5s
                   +0 :              -0.02496514317676
                3d
                   -2 :              -0.00593960881594
                   -1 :               0.00593960881594
                   +0 :               0.01127578831939
                   +1 :               0.12661150909413
                   +2 :               0.01953023826457
                4d
                   -2 :               0.00359292602112
                   -1 :              -0.00359292602112
                   +0 :               0.00780962776527
                   +1 :               0.01483546980784
                   +2 :               0.01352667207765
                4p
                   -1 :              -0.06805272243032
                   +0 :              -0.03481024603075
                   +1 :               0.03481024603075
WF             site_B          number of pairs
WF( 15)=[F_4_3p-1]  to site F (  2)  npairs=   1
              1 vec=     3.713694      3.713694      0.000000   |vec|=    5.251957
                1s
                   +0 :               0.01251805436944
                2s
                   +0 :              -0.13906855476857
                3s
                   +0 :               0.04532515041501
                2p
                   -1 :               0.33959281014635
                   +0 :              -0.26518138104106
                   +1 :               0.41005643416620
                3p
                   -1 :              -0.00325404762591
                   +0 :               0.01635436705038
                   +1 :               0.00087772948648
                3d
                   -2 :              -0.00726297189443
                   -1 :               0.00150508932986
                   +0 :               0.00840737537805
                   +1 :              -0.00044786219563
                   +2 :              -0.00328827940982
WF             site_B          number of pairs
WF( 15)=[F_4_3p-1]  to site F (  3)  npairs=   1
              1 vec=     0.000000      3.713694     -3.713694   |vec|=    5.251957
                1s
                   +0 :               0.01251805436944
                2s
                   +0 :              -0.13906855476857
                3s
                   +0 :               0.04532515041501
                2p
                   -1 :               0.33959281014635
                   +0 :              -0.41005643416620
                   +1 :               0.26518138104106
                3p
                   -1 :              -0.00325404762591
                   +0 :              -0.00087772948648
                   +1 :              -0.01635436705038
                3d
                   -2 :              -0.00150508932986
                   -1 :               0.00726297189443
                   +0 :              -0.00705142119267
                   +1 :              -0.00044786219563
                   +2 :               0.00563686095164
WF             site_B          number of pairs
WF( 15)=[F_4_3p-1]  to site F (  4)  npairs=   1
              1 vec=     3.713694      0.000000     -3.713694   |vec|=    5.251957
                1s
                   +0 :               0.00964349439677
                2s
                   +0 :              -0.08558598802101
                3s
                   +0 :               0.02968544950701
                2p
                   -1 :              -0.15200724608761
                   +0 :               0.24726170178582
                   +1 :              -0.24726170178582
                3p
                   -1 :              -0.00841236104211
                   +0 :              -0.01238103368022
                   +1 :               0.01238103368022
                3d
                   -2 :              -0.00095753198747
                   -1 :               0.00095753198747
                   +0 :               0.00415818194880
                   +1 :              -0.00577623361687
                   +2 :               0.00720218240244
WF             site_B          number of pairs
WF( 15)=[F_4_3p-1]  to site F (  5)  npairs=   1
              1 vec=     0.000000      0.000000      0.000000   |vec|=    0.000000
                1s
                   +0 :               0.01578915882309
                2s
                   +0 :              -0.13966641486275
                3s
                   +0 :               0.06198048736772
                2p
                   -1 :               0.10684611614433
                   +0 :              -0.16028383596071
                   +1 :               0.16028383596071
                3p
                   -1 :              -0.03074797635089
                   +0 :               0.01698024302815
                   +1 :              -0.01698024302815
                3d
                   -2 :               0.00393977861067
                   -1 :              -0.00393977861067
                   +0 :               0.00063361704852
                   +1 :              -0.00448033864424
                   +2 :               0.00109745692057
WF             site_B          number of pairs
WF( 16)=[F_4_3p+0]  to site Cr(  1)  npairs=   1
              1 vec=     1.856847      1.856847     -1.856847   |vec|=    3.216154
                3s
                   +0 :               0.06718004589130
                3p
                   -1 :              -0.01374799701121
                   +0 :              -0.07772762744935
                   +1 :              -0.01374799701121
                4s
                   +0 :              -0.44330710453984
                5s
                   +0 :               0.02496514317676
                3d
                   -2 :               0.12661150909413
                   -1 :              -0.00593960881594
                   +0 :               0.02255157663878
                   +1 :              -0.00593960881594
                   +2 :              -0.00000000000000
                4d
                   -2 :               0.01483546980784
                   -1 :               0.00359292602112
                   +0 :               0.01561925553055
                   +1 :               0.00359292602112
                   +2 :              -0.00000000000000
                4p
                   -1 :              -0.03481024603075
                   +0 :              -0.06805272243032
                   +1 :              -0.03481024603075
WF             site_B          number of pairs
WF( 16)=[F_4_3p+0]  to site F (  2)  npairs=   1
              1 vec=     3.713694      3.713694      0.000000   |vec|=    5.251957
                1s
                   +0 :              -0.00964349439677
                2s
                   +0 :               0.08558598802101
                3s
                   +0 :              -0.02968544950701
                2p
                   -1 :               0.24726170178582
                   +0 :              -0.15200724608761
                   +1 :               0.24726170178582
                3p
                   -1 :              -0.01238103368022
                   +0 :              -0.00841236104211
                   +1 :              -0.01238103368022
                3d
                   -2 :              -0.00577623361687
                   -1 :              -0.00095753198747
                   +0 :               0.00831636389761
                   +1 :              -0.00095753198747
                   +2 :               0.00000000000000
WF             site_B          number of pairs
WF( 16)=[F_4_3p+0]  to site F (  3)  npairs=   1
              1 vec=     0.000000      3.713694     -3.713694   |vec|=    5.251957
                1s
                   +0 :              -0.01251805436944
                2s
                   +0 :               0.13906855476857
                3s
                   +0 :              -0.04532515041501
                2p
                   -1 :              -0.41005643416620
                   +0 :               0.33959281014635
                   +1 :              -0.26518138104106
                3p
                   -1 :              -0.00087772948648
                   +0 :              -0.00325404762591
                   +1 :               0.01635436705038
                3d
                   -2 :              -0.00044786219563
                   -1 :              -0.00726297189443
                   +0 :               0.00135595418538
                   +1 :              -0.00150508932986
                   +2 :              -0.00892514036145
WF             site_B          number of pairs
WF( 16)=[F_4_3p+0]  to site F (  4)  npairs=   1
              1 vec=     3.713694      0.000000     -3.713694   |vec|=    5.251957
                1s
                   +0 :              -0.01251805436944
                2s
                   +0 :               0.13906855476857
                3s
                   +0 :              -0.04532515041501
                2p
                   -1 :              -0.26518138104106
                   +0 :               0.33959281014635
                   +1 :              -0.41005643416620
                3p
                   -1 :               0.01635436705038
                   +0 :              -0.00325404762591
                   +1 :              -0.00087772948648
                3d
                   -2 :              -0.00044786219563
                   -1 :              -0.00150508932986
                   +0 :               0.00135595418538
                   +1 :              -0.00726297189443
                   +2 :               0.00892514036145
WF             site_B          number of pairs
WF( 16)=[F_4_3p+0]  to site F (  5)  npairs=   1
              1 vec=     0.000000      0.000000      0.000000   |vec|=    0.000000
                1s
                   +0 :              -0.01578915882309
                2s
                   +0 :               0.13966641486275
                3s
                   +0 :              -0.06198048736772
                2p
                   -1 :              -0.16028383596071
                   +0 :               0.10684611614433
                   +1 :              -0.16028383596071
                3p
                   -1 :               0.01698024302815
                   +0 :              -0.03074797635089
                   +1 :               0.01698024302815
                3d
                   -2 :              -0.00448033864424
                   -1 :               0.00393977861067
                   +0 :               0.00126723409704
                   +1 :               0.00393977861067
                   +2 :               0.00000000000000
WF             site_B          number of pairs
WF( 17)=[F_4_3p+1]  to site Cr(  1)  npairs=   1
              1 vec=     1.856847      1.856847     -1.856847   |vec|=    3.216154
                3s
                   +0 :              -0.06718004589130
                3p
                   -1 :               0.01374799701121
                   +0 :              -0.01374799701121
                   +1 :              -0.07772762744935
                4s
                   +0 :               0.44330710453984
                5s
                   +0 :              -0.02496514317676
                3d
                   -2 :              -0.00593960881594
                   -1 :               0.12661150909413
                   +0 :               0.01127578831939
                   +1 :               0.00593960881594
                   +2 :              -0.01953023826457
                4d
                   -2 :               0.00359292602112
                   -1 :               0.01483546980784
                   +0 :               0.00780962776527
                   +1 :              -0.00359292602112
                   +2 :              -0.01352667207765
                4p
                   -1 :               0.03481024603075
                   +0 :              -0.03481024603075
                   +1 :              -0.06805272243032
WF             site_B          number of pairs
WF( 17)=[F_4_3p+1]  to site F (  2)  npairs=   1
              1 vec=     3.713694      3.713694      0.000000   |vec|=    5.251957
                1s
                   +0 :               0.01251805436944
                2s
                   +0 :              -0.13906855476857
                3s
                   +0 :               0.04532515041501
                2p
                   -1 :               0.41005643416620
                   +0 :              -0.26518138104106
                   +1 :               0.33959281014635
                3p
                   -1 :               0.00087772948648
                   +0 :               0.01635436705038
                   +1 :              -0.00325404762591
                3d
                   -2 :              -0.00726297189443
                   -1 :              -0.00044786219563
                   +0 :               0.00840737537805
                   +1 :               0.00150508932986
                   +2 :               0.00328827940982
WF             site_B          number of pairs
WF( 17)=[F_4_3p+1]  to site F (  3)  npairs=   1
              1 vec=     0.000000      3.713694     -3.713694   |vec|=    5.251957
                1s
                   +0 :               0.00964349439677
                2s
                   +0 :              -0.08558598802101
                3s
                   +0 :               0.02968544950701
                2p
                   -1 :              -0.24726170178582
                   +0 :               0.24726170178582
                   +1 :              -0.15200724608761
                3p
                   -1 :               0.01238103368022
                   +0 :              -0.01238103368022
                   +1 :              -0.00841236104211
                3d
                   -2 :              -0.00095753198747
                   -1 :              -0.00577623361687
                   +0 :               0.00415818194880
                   +1 :               0.00095753198747
                   +2 :              -0.00720218240244
WF             site_B          number of pairs
WF( 17)=[F_4_3p+1]  to site F (  4)  npairs=   1
              1 vec=     3.713694      0.000000     -3.713694   |vec|=    5.251957
                1s
                   +0 :               0.01251805436944
                2s
                   +0 :              -0.13906855476857
                3s
                   +0 :               0.04532515041501
                2p
                   -1 :               0.26518138104106
                   +0 :              -0.41005643416620
                   +1 :               0.33959281014635
                3p
                   -1 :              -0.01635436705038
                   +0 :              -0.00087772948648
                   +1 :              -0.00325404762591
                3d
                   -2 :              -0.00150508932986
                   -1 :              -0.00044786219563
                   +0 :              -0.00705142119267
                   +1 :               0.00726297189443
                   +2 :              -0.00563686095164
WF             site_B          number of pairs
WF( 17)=[F_4_3p+1]  to site F (  5)  npairs=   1
              1 vec=     0.000000      0.000000      0.000000   |vec|=    0.000000
                1s
                   +0 :               0.01578915882309
                2s
                   +0 :              -0.13966641486275
                3s
                   +0 :               0.06198048736772
                2p
                   -1 :               0.16028383596071
                   +0 :              -0.16028383596071
                   +1 :               0.10684611614433
                3p
                   -1 :              -0.01698024302815
                   +0 :               0.01698024302815
                   +1 :              -0.03074797635089
                3d
                   -2 :               0.00393977861067
                   -1 :              -0.00448033864424
                   +0 :               0.00063361704852
                   +1 :              -0.00393977861067
                   +2 :              -0.00109745692057
