! 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   2.4632506168  -1.1473730412   3.2690142865
Cl  -5.1003011804   1.2365731524  -3.7070500926
Cl   4.9305568363  -3.9456299158  -0.5909569894
S   -1.1638445083   1.3077717304   1.9606424632
N    1.1577418521   2.2734427412   0.1049534328
N    0.2886016493  -0.7735496293   1.2113668518
N    0.9991222286   1.7438679421  -1.1092010882
N    0.6184957651   3.9494389450  -1.1536505734
C    1.4440255804   1.4234716428   1.2313261495
C   -2.4843638537   0.1130120219   1.5889254978
C    0.2839343246   0.4679460359   1.4303854837
C   -3.1330439460   0.3838587110   0.2644367489
C   -2.4059848415   0.3089895497  -0.9222637150
C   -4.4780151335   0.7274440515   0.1978491535
C    1.4189347754  -1.4673141074   0.7938282609
C   -3.0031186698   0.5678920621  -2.1434123597
C   -5.0941528028   0.9882094769  -1.0189158606
C    0.9195694281   3.5862498093   0.0686560113
C    2.4846481280  -1.7516775728   1.6489220953
C    1.4687592954  -1.9796930886  -0.5009320034
C   -4.3481628636   0.9066380388  -2.1814337496
C    3.5664407110  -2.5128387291   1.2341397371
C    2.5414138556  -2.7345657163  -0.9365067070
C    3.5852914045  -2.9958636790  -0.0621401250
C    0.6785315828   2.7863645120  -1.8315154017
H    1.5909844422   2.0474946635   2.1129221491
H    2.3729621565   0.8873585879   1.0451908234
H   -3.2043704686   0.1921368637   2.4029315370
H   -2.0440428532  -0.8838178174   1.6387365252
H   -1.3540070448   0.0549505821  -0.9058708312
H   -5.0644473860   0.7980032384   1.1057315255
H   -2.4233078130   0.5070883877  -3.0545243050
H   -6.1416210403   1.2556847932  -1.0505134164
H    0.9825058028   4.2214497229   0.9383069599
H    0.6450304680  -1.7820589219  -1.1737339276
H    4.3800616339  -2.7183588032   1.9159890822
H    2.5577157320  -3.1147599714  -1.9484815707
H    0.4842992066   2.7068850520  -2.8898660249
*