! 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   1.4972274258   0.0317708955  -3.9911182865
Cl  -3.1480622801  -1.8548547759   3.2906024774
Cl   3.3636751284  -4.3138032300  -1.4471717079
S   -0.7650994015   3.0360366110  -0.7993449774
N    1.1169143873   2.1402814599   1.5645967936
N    0.2756830102   0.7102145532  -1.4186671319
N    0.7320912132   1.0375915229   2.2100224824
N    0.3368930938   2.8502501509   3.4584096200
C    1.5852159439   2.0747739966   0.2033133885
C   -2.2598936195   2.0632102802  -1.1735216319
C    0.4388340970   1.7530096200  -0.7321964110
C   -2.5421533922   1.0803459673  -0.0790067945
C   -2.4415485983  -0.2868599353  -0.3058125750
C   -2.8555910015   1.5238051404   1.2034696244
C    1.0714160028  -0.4231578727  -1.3679471883
C   -2.6337587224  -1.1984154969   0.7230881139
C   -3.0537783176   0.6296060187   2.2401418945
C    0.8635460112   3.2151779959   2.3154832452
C    1.6570186791  -0.8959631550  -2.5446329041
C    1.2095344419  -1.1952201823  -0.2151408948
C   -2.9304752751  -0.7287339681   1.9900997084
C    2.3693653464  -2.0815354773  -2.5778634918
C    1.9106878049  -2.3890329893  -0.2315307360
C    2.4867665844  -2.8224062005  -1.4129842936
C    0.2757866277   1.5089412853   3.3406271518
H    2.3795072976   1.3344659579   0.1262058287
H    2.0152350346   3.0430448923  -0.0563676295
H   -2.1442648496   1.5799208905  -2.1420684320
H   -3.0511692672   2.8095797696  -1.2667302494
H   -2.2030220747  -0.6545977171  -1.2952421962
H   -2.9307333622   2.5848853862   1.4077040462
H   -2.5419256107  -2.2589013412   0.5320788494
H   -3.2905244245   0.9900518378   3.2320031745
H    1.0823648704   4.2217736144   1.9958632074
H    0.7524689699  -0.8548904264   0.7045585690
H    2.8195364893  -2.4209272927  -3.4999286107
H    1.9999442402  -2.9718699208   0.6747557648
H   -0.1132124180   0.8619766195   4.1109504789
*