! 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 "1-OCTANOL"
end
*xyz 0 1
Cl  -2.3616727569  -0.7054065616  -2.4483510177
Cl  -3.1432985932   3.7134571026   0.4377302782
F    4.3098665324  -0.3230001211  -0.9843939441
F    3.0909912690   1.4445292682  -0.7711111008
F    3.2044763706   1.2155781124   1.9701879690
F    5.1498299768   1.3388211258   0.9838602528
O    2.3317513195  -0.4917552831   0.0362095042
N   -1.2676828292  -2.6544030593   0.7266001456
N   -1.7920313321  -3.5889605585  -0.0666800529
N   -3.3213697863  -2.8555859141   1.3930721393
C    0.1473043732  -1.2278191459  -0.6761509787
C    0.0798999079  -2.1800016186   0.5233010242
C    1.5823793604  -0.9556612035  -1.0966604504
C   -0.6722550158   0.0171488017  -0.4299480653
C   -1.8165096265   0.3255679012  -1.1649063253
C   -0.3329663205   0.9021491144   0.5947177366
C    3.4061246664   0.2726350084  -0.1669862351
C   -2.5818567091   1.4551817056  -0.9102433391
C   -1.0729830796   2.0375784499   0.8711340346
C   -2.1905458095  -2.2204666004   1.5870856773
C   -2.1975397678   2.3050717354   0.1095020783
C    4.0747810192   0.5457792771   1.1801728675
C   -3.0207757057  -3.6812963272   0.3725233339
H   -0.2715341663  -1.7687906900  -1.5267652479
H    0.7216807715  -3.0455502081   0.3580132470
H    0.4047187717  -1.7018526747   1.4460919056
H    2.0305996495  -1.8833575138  -1.4578589063
H    1.5966672209  -0.2308023608  -1.9122082289
H    0.5315912618   0.7045580073   1.2114453411
H   -3.4652451830   1.6611928465  -1.4982948912
H   -0.7751176649   2.6983861562   1.6731809148
H   -1.9936938410  -1.4597248932   2.3260856989
H    4.3835475357  -0.3748795474   1.6763031929
H   -3.7286052993  -4.3720262729  -0.0584659191
*