! 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   1.7489549105  -1.2387135297   2.9144174342
Cl  -7.8947398144   0.7749659609  -1.8110900072
Cl   6.0772539991  -2.3924714902  -0.0444170018
S   -1.5933151470   1.0364589764   0.7239534100
N    2.1379196041   1.9663588564   0.3993611765
N    0.4938272637  -0.4966142872   0.2746484895
N    2.0333792100   2.2807756689  -0.8925075041
N    4.1840184736   2.0974916751  -0.2964496926
C    0.9615549026   1.7731572165   1.1998334686
C   -2.3699562383  -0.5095728094   0.1609293243
C    0.1054557844   0.6306610035   0.6870372446
C   -3.7524732254  -0.1945748877  -0.3211020808
C   -3.9453318108   0.3101340789  -1.6046096794
C   -4.8594724432  -0.3829179028   0.4979437791
C    1.8236774041  -0.8971397883   0.2312641774
C   -5.2141466083   0.6099480743  -2.0702846113
C   -6.1382805084  -0.0871046968   0.0475712332
C    3.4249430017   1.8575778771   0.7425504835
C    2.5205066913  -1.3082679862   1.3678506344
C    2.4721273589  -0.9958917590  -0.9994379930
C   -6.3034465920   0.4070975362  -1.2357069906
C    3.8238390954  -1.7743950806   1.2933561815
C    3.7757574801  -1.4432356065  -1.0926591852
C    4.4450142805  -1.8271714340   0.0588091449
C    3.2846153463   2.3478304329  -1.2687597088
H    0.3890315995   2.7016230347   1.2230140077
H    1.2641128879   1.5628213723   2.2266922974
H   -2.3786432188  -1.2249931921   0.9824471183
H   -1.7511442385  -0.9185720457  -0.6374340808
H   -3.0949958376   0.4682516707  -2.2569636289
H   -4.7329728826  -0.7712524112   1.5010969966
H   -5.3485226412   0.9940536227  -3.0723585536
H   -6.9913316813  -0.2439976501   0.6936706468
H    3.7496894213   1.6118365633   1.7417019875
H    1.9382046495  -0.7068404677  -1.8945811996
H    4.3426558931  -2.0831704804   2.1904143716
H    4.2602042679  -1.4916203082  -2.0580505569
H    3.5603353931   2.5890241399  -2.2836359969
*