! 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  -4.6342283929   1.7307205243   0.9267892781
F   -2.1031979017  -1.3630333354  -2.3186201868
F   -0.0161244687  -0.9811128485  -2.0017251643
F   -0.9791634678  -2.6086689024  -0.9811061062
O    1.1639364107   1.9297341156   0.5817067938
N    2.8497471491  -1.3303934889   0.6903174126
N    0.6248645327  -0.9236513260   0.7654283493
N    3.8974537950  -3.2726279660   0.6540772038
C    1.7796574467  -0.4226410268   0.6960392673
C    2.2171197812   1.0247637542   0.6161977135
C    0.7036105476   2.2850483362  -0.7139381194
C   -0.5814328655  -0.2462942851   0.7977719368
C    1.4819595745   3.4481304048  -1.3013398582
C   -1.5008146922  -0.4389067428  -0.2401612850
C   -0.9686317327   0.5145064195   1.8997784657
C   -2.7460395745   0.1775097234  -0.2041338079
C    4.2026243763  -1.0503660899   0.7203371813
C    0.9367148034   3.8422737488  -2.6654810966
C    2.7372091587  -2.6922576511   0.6497198460
C   -1.1493748040  -1.3424030396  -1.3823844684
C   -2.2094073781   1.1166934306   1.9466040925
C   -3.0862580457   0.9578364125   0.8836854629
C    4.8210846612  -2.2550663378   0.7000116585
H    2.8878024748   1.1307155357  -0.2457733907
H    2.8188512552   1.2348020162   1.5063264624
H   -0.3485168103   2.5580247855  -0.6005100942
H    0.7400593556   1.4266950840  -1.3937850917
H    1.4261599172   4.2986154653  -0.6175559447
H    2.5394879839   3.1833114834  -1.3920431965
H   -0.2861340364   0.6349853157   2.7296955705
H   -3.4528711065   0.0489039344  -1.0115247975
H    4.6047887249  -0.0534306501   0.7610512842
H   -0.1137021363   4.1326208137  -2.6062606575
H    1.4875023425   4.6869161474  -3.0785898108
H    1.0120865039   3.0207420155  -3.3798515362
H    1.7814690466  -3.1865920496   0.6066810550
H   -2.4855972745   1.7120796685   2.8059100704
H    5.8813798197  -2.4477998063   0.7161362902
*