! 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  -1.8392948411   1.7309363543   1.7931537943
Cl   8.1959283068  -0.3098341776   0.0274318840
Cl  -6.1553134138   1.9242525690  -1.4026040919
S    1.4914569989  -1.3289832795   0.0150363977
N   -2.2990804028  -1.9994881833   0.6891364692
N   -0.6032040962   0.1951554431  -0.3917188262
N   -3.4776221655  -2.1272324884   0.0737745586
N   -3.7673133254  -1.5086297532   2.2065590566
C   -1.0572292450  -2.2340448244   0.0007546479
C    2.2332145709   0.2873867362  -0.3700947353
C   -0.2131983183  -0.9813324114  -0.1564348556
C    3.7213678146   0.1463648085  -0.2724155190
C    4.3762285433   0.3675250553   0.9350449660
C    4.4707378343  -0.2303471408  -1.3825088215
C   -1.9289439155   0.5426784007  -0.6214223160
C    5.7517719775   0.2300091015   1.0360112477
C    5.8469850096  -0.3720058326  -1.2994768500
C   -2.4872656100  -1.6330415726   1.9620263585
C   -2.6227389301   1.3109044306   0.3133404729
C   -2.5697570726   0.2371159602  -1.8194543338
C    6.4760528199  -0.1391038490  -0.0865649409
C   -3.9225054208   1.7297554384   0.0898086160
C   -3.8622045323   0.6616946890  -2.0708282645
C   -4.5323564642   1.3978538172  -1.1084464894
C   -4.3276086503  -1.8212453990   1.0189921718
H   -1.2914474807  -2.6392790221  -0.9837598582
H   -0.4915743726  -3.0028268025   0.5301621233
H    1.8486356345   1.0209683019   0.3375649809
H    1.9219346562   0.5849628999  -1.3710182031
H    3.8111813878   0.6573074597   1.8125244625
H    3.9794740838  -0.4116189040  -2.3306735619
H    6.2486991652   0.4119510882   1.9792209222
H    6.4179810791  -0.6586545750  -2.1720861010
H   -1.6767297328  -1.4769290834   2.6569135941
H   -2.0424674937  -0.3366838272  -2.5706665901
H   -4.4451325451   2.3077547606   0.8394828926
H   -4.3390153103   0.4111566666  -3.0084685614
H   -5.3929965516  -1.8254936529   0.8486454161
*