! 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
Cl  -1.3395023573  -0.3734563159  -2.1282087746
Cl  -4.7505794826   3.1972655492  -0.1039834466
F    3.0187248220  -0.0272858754  -1.0489165921
F    4.1105992316   1.3441230421   0.2052713487
F    5.5553761605  -0.8086750184  -0.5606756838
F    4.0809377681  -2.1597090358   0.3185840429
O    2.6152883249  -0.0141249330   1.1535797108
N   -1.0107079861  -2.1632201837   0.8903069363
N   -0.6832453088  -3.0796916450  -0.0240245102
N   -2.9122405980  -2.9742590673   0.2187068598
C    0.2651145327  -0.0965511451   0.5239153996
C   -0.0201619986  -1.2796875516   1.4572589257
C    1.4100716272   0.7612832759   1.0581803460
C   -0.9781931369   0.7363536485   0.3331896547
C   -1.7650889803   0.6732355610  -0.8155858122
C   -1.4247651268   1.5749501250   1.3537360886
C    3.5398058541   0.1135680114   0.1958600141
C   -2.9226776301   1.4233885741  -0.9627272440
C   -2.5741410875   2.3367443868   1.2388165020
C   -2.3365818898  -2.1013907310   1.0097565296
C   -3.3127809742   2.2551554695   0.0707200915
C    4.6321057509  -0.9302624491   0.4201951372
C   -1.8521839783  -3.5353083375  -0.3905692213
H    0.5727036468  -0.4993284958  -0.4414515746
H    0.8817966812  -1.8622502167   1.6345170294
H   -0.3864949015  -0.9347762861   2.4244269757
H    1.5460778125   1.6433735066   0.4307377454
H    1.2157069732   1.1085243874   2.0720864376
H   -0.8673489327   1.6398758096   2.2791772486
H   -3.5084904602   1.3531532878  -1.8683350182
H   -2.8842964053   2.9787126657   2.0510043902
H   -2.8326614566  -1.4322813327   1.6953744176
H    5.1131622931  -0.8202681449   1.3918219781
H   -1.9439948989  -4.3174960935  -1.1276403181
*