! 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  -1.9210190292   0.8378445755   3.2992911200
Cl   3.5812080699   0.9412460064  -3.8493418021
Cl  -2.7134345845   5.0104310677   0.0125050129
S    0.7525282828  -2.5499113990   1.4700195383
N   -1.8201914813  -2.6993507419  -0.0152303370
N    0.1190959463  -0.0194270668   1.2311775077
N   -1.4463600263  -2.5275322235  -1.2832148233
N   -1.9686494651  -4.6705950689  -0.8974748803
C   -1.7584299297  -1.6051779796   0.9140869878
C    2.3619711306  -1.7151521497   1.4071387772
C   -0.3272381601  -1.1967688730   1.1891925379
C    2.6478865036  -1.0601008261   0.0866974828
C    2.5080637360  -1.7522618062  -1.1118518881
C    3.0767157404   0.2615013476   0.0458488614
C   -0.6217182100   1.1170278304   0.9452213613
C    2.7944528600  -1.1453064688  -2.3244416501
C    3.3723444525   0.8842344326  -1.1576254017
C   -2.1228046105  -3.9816295727   0.2056962959
C   -1.5597485566   1.6617147317   1.8227049355
C   -0.3496792142   1.8156651183  -0.2316387328
C    3.2251888010   0.1723365543  -2.3365487332
C   -2.2060494655   2.8571454072   1.5468365100
C   -0.9914953686   3.0019499671  -0.5311333867
C   -1.9154507792   3.5168083088   0.3659963369
C   -1.5515943231  -3.7346035254  -1.7732818641
H   -2.2368352155  -1.9150495960   1.8440659880
H   -2.3249832962  -0.7641618211   0.5149183986
H    3.0774065032  -2.5152402416   1.6118449771
H    2.4325145204  -1.0021106646   2.2273943157
H    2.1615468247  -2.7781156380  -1.1118208868
H    3.1770149678   0.8255142710   0.9644536632
H    2.6807049927  -1.6972698098  -3.2476242161
H    3.7013131901   1.9146232868  -1.1696123415
H   -2.4474488967  -4.3530588458   1.1650247559
H    0.3856434901   1.4125411998  -0.9158910736
H   -2.9275679362   3.2595315928   2.2446307711
H   -0.7656748787   3.5192978451  -1.4533403821
H   -1.3277745651  -3.9504827910  -2.8067006067
*