! 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   2.2398504303  -0.9277322423   2.6348824842
Cl  -4.6942288959  -1.1557957288  -3.0883680343
Cl   2.9151557009  -4.8578087436  -0.9643352471
S   -0.6271461457   2.4756023650   1.1724034839
N    2.0852692202   2.8902704299   0.2700969584
N    0.0107990546  -0.0475271315   0.8410813435
N    1.7776304882   3.9198546875  -0.5228026621
N    2.9186347301   4.6212808557   1.2714677125
C    1.6665012449   1.5494334812  -0.0345106101
C   -2.1475809429   1.5849308584   1.6177363939
C    0.3872937940   1.1434561864   0.6662010101
C   -2.7991120427   0.9084582198   0.4478143668
C   -3.1684387143   1.6315829646  -0.6817313396
C   -3.0419915320  -0.4599135812   0.4712945796
C    0.7440818370  -1.1403717702   0.3979021056
C   -3.7541066808   1.0062888263  -1.7709434179
C   -3.6335440496  -1.1019696748  -0.6060561404
C    2.7634801459   3.3241107248   1.3383922563
C    1.7786846407  -1.6922035340   1.1539357098
C    0.3960707354  -1.7764426539  -0.7925580573
C   -3.9777142610  -0.3612215984  -1.7243185500
C    2.4501682316  -2.8328548572   0.7464391477
C    1.0572829124  -2.9133760376  -1.2203850677
C    2.0816018311  -3.4334937613  -0.4448285261
C    2.2990315361   4.9340892173   0.1146350589
H    2.4718144709   0.8620660356   0.2216089940
H    1.5150509679   1.4785829082  -1.1123641005
H   -2.7909764776   2.3626414724   2.0352602121
H   -1.9288449629   0.8802329576   2.4191686187
H   -2.9881499930   2.6987397945  -0.7275585509
H   -2.7569584646  -1.0430657395   1.3370271219
H   -4.0297309826   1.5813348980  -2.6444553592
H   -3.8101082596  -2.1685436228  -0.5727007269
H    3.1202333137   2.6678890373   2.1176055690
H   -0.4139026359  -1.3694320770  -1.3840039612
H    3.2503666688  -3.2389425203   1.3496778741
H    0.7710193731  -3.3861894862  -2.1495666829
H    2.2335279818   5.9406971154  -0.2678922012
*