! 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  -0.4736114779  -1.2820625361   1.2349742512
Cl  -4.9223255656  -2.2549528494   0.6328192562
Cl   3.1142059353  -4.6651084212  -0.8880021572
S   -0.3936282046   2.9534274363  -0.1162339242
N    2.3069108331   2.7306708010   1.1560216732
N    0.4424194138   0.5965904417  -0.9173969966
N    3.1282685904   3.0738531885   0.1620733572
N    3.1209405590   4.6440784346   1.7578108210
C    1.5710407635   1.4960032978   1.0949543576
C   -1.6902417176   2.4376588704  -1.2819258862
C    0.5984368287   1.5099497469  -0.0629896928
C   -2.4976237964   1.2700166172  -0.7984257220
C   -3.2071247132   1.3347390162   0.3966606659
C   -2.5551545821   0.0983110932  -1.5436166077
C    1.1063998696  -0.6203712688  -0.8578371516
C   -3.9556063594   0.2576858510   0.8427073827
C   -3.3036950875  -0.9875334195  -1.1165304737
C    2.3105097966   3.6745697153   2.1016534773
C    0.7521859249  -1.6096414742   0.0628563472
C    2.0937362861  -0.9227394042  -1.7938876013
C   -3.9949326997  -0.8985796859   0.0790965276
C    1.3605884221  -2.8548673652   0.0577548924
C    2.7209777618  -2.1550316978  -1.8058580845
C    2.3459069760  -3.1148929769  -0.8786428865
C    3.5943035800   4.2261592766   0.5666760021
H    1.0251170365   1.3746624979   2.0308661143
H    2.2723938009   0.6667492314   1.0043618445
H   -1.2394876983   2.2399474374  -2.2534368272
H   -2.3099514191   3.3306494716  -1.3886067274
H   -3.1769651206   2.2344900375   0.9994635926
H   -2.0047002558   0.0236699437  -2.4722731425
H   -4.5021548501   0.3228943706   1.7738496850
H   -3.3351741381  -1.8925484960  -1.7080979732
H    1.7176905646   3.6090497616   3.0006421293
H    2.3696795130  -0.1726724771  -2.5233840948
H    1.0691239605  -3.6051237901   0.7798021298
H    3.4912661773  -2.3613503107  -2.5360854610
H    4.3050370589   4.7890403519  -0.0181965523
*