! wb97x-d3
! def2-TZVPP
! def2/J RIJCOSX GRIDX6 NOFINALGRIDX
! grid4 nofinalgrid
! scfconv7
! smallprint printgap noloewdin
! NOSOSCF
%MaxCore 8000
%output
       print[P_BondOrder_M] 1
       print[P_Mayer] 1
       print[P_basis] 2
end
%pal
    nprocs 8
end
%cpcm
    smd    true
    smdsolvent "WATER"
end
*xyz 0 1
F    0.4098673727   2.3113748902   0.6989240749
F    1.5729986625   2.0026891256   2.5204233591
F   -1.3201740137   1.8529320684  -2.5894002068
F   -3.6624362132   1.6846743159   1.4397181453
F   -2.8211522318   3.0696697799  -0.7131293987
O    0.5092245088  -0.6159320128   1.4961743225
N    0.9468726680  -1.8543223840  -0.3444118351
N    4.2377547575   0.7683200299  -0.6187334333
N    3.6884150029   1.8077614377  -0.0050844946
C   -1.4450990260  -2.3172481639  -0.1251032129
C   -0.1194628875  -2.7626369201  -0.1823503368
C    2.3333764638   0.0202512942   0.1460885227
C   -1.7988041151  -0.8910634589  -0.2834253104
C    2.5411126739   1.3748241405   0.4753668067
C    1.1886217750  -0.8278982468   0.5063663044
C    3.4648761748  -0.3228627790  -0.5641303136
C   -2.4546755620  -3.2589795150   0.0638080974
C    0.1660877737  -4.1197438202  -0.0949631370
C   -2.5833934651  -0.2638838031   0.6792203842
C   -1.3693291172  -0.1761478023  -1.3984955213
C   -2.1680868080  -4.6121940644   0.1536458266
C    1.6734118474   2.3329587728   1.2032645815
C   -0.8536452781  -5.0452356684   0.0599650636
C    5.5299403584   0.8768837103  -1.2617150294
C   -1.7167487051   1.1506521305  -1.5256067925
C   -2.9177658959   1.0631592823   0.5223350999
C   -2.4903826005   1.7865902444  -0.5738455476
H    1.5716929768  -2.0110547500  -1.1206274626
H    3.7769341362  -1.2562610004  -1.0054186330
H   -3.4837656571  -2.9259495238   0.1119311656
H    1.1967251050  -4.4474761545  -0.1393468527
H   -2.9181509677  -0.7954372965   1.5600774084
H   -0.7781945763  -0.6429659792  -2.1745492238
H    2.0593079068   3.3507802412   1.1345880731
H   -2.9710223837  -5.3247706732   0.2851750604
H   -0.6180098039  -6.0990527557   0.1213718370
H    5.4375662907   0.6987955796  -2.3303878599
H    5.9132858752   1.8783829377  -1.0995262460
H    6.2243417207   0.1565682610  -0.8364140193
*