! 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  -0.8724577270   1.4897221810   3.0151471317
Cl   4.7328967516   1.3572858220  -2.8974103698
Cl  -2.7441490192   4.9300534821  -0.6606915936
S    0.4352139723  -2.7508588645   0.7076575407
N   -2.4205222835  -2.9902155157   0.1152816116
N   -0.2133095524  -0.2131109832   0.7189899863
N   -2.1767274085  -4.1045098198  -0.5793431089
N   -3.3626126247  -4.5688576114   1.2613695966
C   -1.8986804379  -1.7156883255  -0.3012174665
C    1.9365396645  -1.9155441601   1.2984118422
C   -0.5933727540  -1.3708050089   0.3886952104
C    2.6275079566  -1.1012360806   0.2453358715
C    2.8282106052   0.2621570501   0.4281223647
C    3.0922128525  -1.6932255034  -0.9256133669
C   -0.8796883115   0.9488456162   0.3765908707
C    3.4799219994   1.0249498471  -0.5290976165
C    3.7395745420  -0.9457654591  -1.8962649449
C   -3.1246390383  -3.2830557449   1.2140552690
C   -1.2010458302   1.8794638086   1.3682724196
C   -1.1413482495   1.2970152753  -0.9487966734
C    3.9273186766   0.4122761591  -1.6877119515
C   -1.7821000480   3.0971161242   1.0609819875
C   -1.7135948968   2.5128890553  -1.2777139177
C   -2.0330114578   3.4045040743  -0.2671085493
C   -2.7602374396  -5.0241442913   0.1431902862
H   -2.6415502296  -0.9438830235  -0.1004501223
H   -1.7502324051  -1.7574565169  -1.3801916028
H    2.5713130561  -2.7356783274   1.6409905247
H    1.6844515918  -1.3121771843   2.1694390164
H    2.4651792286   0.7436026294   1.3269274057
H    2.9438309229  -2.7532544110  -1.0938211124
H    3.6278376115   2.0849669553  -0.3722397785
H    4.0928367326  -1.4179970159  -2.8031225474
H   -3.4379799956  -2.5397605124   1.9308884443
H   -0.8620173726   0.6143569566  -1.7411613372
H   -2.0302543829   3.7969433967   1.8469971072
H   -1.8995478019   2.7585260675  -2.3141159960
H   -2.7591152445  -6.0631512615  -0.1468771241
*