! 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  -0.2098955005   1.1698665519   1.7133913846
Cl   4.1373198771   2.1741771530   1.9669108644
Cl  -1.3628707243   4.1693707350  -2.5850117284
S    0.4147060673  -2.6704703765  -1.5676477546
N   -2.1201429983  -3.2185735951   1.4072956909
N   -1.1381143424  -1.0719609424   0.0910819988
N   -3.3024195165  -3.5980489884   0.9180253770
N   -3.5608360590  -2.5435410819   2.8762799302
C   -0.9204827871  -3.3786004204   0.6420837411
C    1.3268284210  -1.2074969121  -2.1303698086
C   -0.6447565013  -2.1773876966  -0.2430786229
C    2.0046104439  -0.3932520169  -1.0664855632
C    2.5648682449  -0.9596656980   0.0728584092
C    2.1224881210   0.9798775991  -1.2545429532
C   -1.1244179856   0.1252402283  -0.5924940590
C    3.2259757303  -0.1773998863   1.0063775285
C    2.7818513682   1.7762969224  -0.3327257182
C   -2.2895018918  -2.5752681598   2.5636110220
C   -0.7744245777   1.2921526379   0.0920739142
C   -1.5725423560   0.2489106820  -1.9066929859
C    3.3270300476   1.1874824846   0.7957593087
C   -0.8381343455   2.5342692092  -0.5111658815
C   -1.6522628086   1.4852141064  -2.5252547668
C   -1.2785284084   2.6186654778  -1.8222912033
C   -4.1340444710  -3.1799917941   1.8352758172
H   -1.0045663618  -4.2938416423   0.0558496355
H   -0.0743329645  -3.5117866655   1.3183155868
H    0.6907032113  -0.5828994089  -2.7550779418
H    2.0731335162  -1.6510037816  -2.7960615470
H    2.4930147831  -2.0260633924   0.2465484535
H    1.6912786113   1.4441666144  -2.1332823057
H    3.6517761603  -0.6330831921   1.8899657232
H    2.8577396454   2.8432568638  -0.4927262259
H   -1.4714495346  -2.1635298226   3.1330796981
H   -1.8838683571  -0.6355893042  -2.4481921847
H   -0.5414893581   3.4199293454   0.0334037216
H   -2.0059496754   1.5556607334  -3.5445559905
H   -5.1974208920  -3.3450046158   1.7565315101
*