! 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  -0.4828462207  -0.6980918160   1.3827977075
Cl  -4.3865517612  -2.8362849926   0.7946619845
Cl   3.7104212111  -3.5103450305  -0.4354012078
S   -1.3415186062   3.2612243334  -0.4181975224
N    2.1717213535   2.1057420026   0.9323353027
N    0.1159269917   1.1438844622  -0.9208352401
N    2.9541183551   2.6014417811  -0.0276157785
N    4.0608244923   1.0771344991   1.1833747672
C    0.8038547524   2.5224922995   1.0464831143
C   -2.3892539906   2.3174844517  -1.5654676177
C   -0.0240706506   2.1366826455  -0.1599796288
C   -2.9004893413   1.0346618307  -0.9807062754
C   -3.6713238988   1.0344227932   0.1772598562
C   -2.6096089057  -0.1814546774  -1.5871325472
C    0.9974767376   0.0911473891  -0.7415498312
C   -4.1351522006  -0.1493429119   0.7267244085
C   -3.0703804442  -1.3760211141  -1.0553274317
C    2.8419858972   1.1955311392   1.6446964584
C    0.8049097139  -0.8800077166   0.2445230463
C    2.0431518540  -0.1003577437  -1.6441814601
C   -3.8246067788  -1.3482225219   0.1045154764
C    1.6286420432  -1.9896902744   0.3426926965
C    2.8849368166  -1.1923265627  -1.5516920943
C    2.6698055535  -2.1320811243  -0.5564682349
C    4.0759241882   1.9565841101   0.1612189140
H    0.7717004928   3.6031468323   1.1948841661
H    0.3683297774   2.0694429818   1.9382597236
H   -1.8377997112   2.1465111313  -2.4894703984
H   -3.2061137594   3.0046050522  -1.7972650048
H   -3.9107422619   1.9679907262   0.6716442951
H   -2.0073475959  -0.2058442921  -2.4860988037
H   -4.7307650242  -0.1333186563   1.6294210820
H   -2.8279432828  -2.3139864683  -1.5361692182
H    2.4078012571   0.6627407384   2.4763755912
H    2.1966952235   0.6298430691  -2.4273187553
H    1.4596199732  -2.7242999921   1.1178995424
H    3.6967170143  -1.3066041626  -2.2565887967
H    4.9409090838   2.1250379187  -0.4610405376
*