! 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   1.3077653529  -1.2585540881   3.6346093412
Cl  -3.2142099804  -0.8439265293  -3.8935277568
Cl   2.8364220751  -4.8518011837  -0.0605442463
S   -0.7255907125   2.6188428842   1.5258186300
N    1.7493092058   2.6878983240  -0.1951613150
N   -0.0514894066   0.0888410397   1.3693026318
N    1.9604923218   3.9760651280   0.0808498729
N    1.4177047147   3.7123798807  -2.0747990673
C    1.7612969810   1.6844852434   0.8360139130
C   -2.3299951365   1.7652733655   1.4502716401
C    0.3595090714   1.2728690154   1.2352379098
C   -2.5721033621   1.1217245288   0.1168335528
C   -2.5316038642   1.8706873456  -1.0560258435
C   -2.8237274662  -0.2425559849   0.0276633963
C    0.6935919723  -1.0294937420   1.0235553896
C   -2.7302963529   1.2753015407  -2.2909756849
C   -3.0299608210  -0.8549658166  -1.1999756868
C    1.4151102882   2.5454247993  -1.4812557656
C    1.3341242366  -1.7978733210   1.9951599621
C    0.7354754514  -1.4754048719  -0.2963593798
C   -2.9756449427  -0.0882576177  -2.3516994533
C    1.9941828189  -2.9715662865   1.6729480931
C    1.3942831165  -2.6431598574  -0.6394297998
C    2.0177017135  -3.3844929455   0.3509792932
C    1.7566987536   4.5515796171  -1.0757285058
H    2.2827583433   2.0985897742   1.6996492327
H    2.3305284730   0.8189335757   0.4990544950
H   -3.0563880071   2.5561321029   1.6492594214
H   -2.3993283250   1.0451753714   2.2640852292
H   -2.3288802410   2.9339930625  -1.0153577411
H   -2.8514942087  -0.8455881243   0.9260605554
H   -2.6918401619   1.8702640672  -3.1934706192
H   -3.2195147009  -1.9187082865  -1.2512043233
H    1.1924025118   1.5913737046  -1.9338818717
H    0.2244293014  -0.9053135924  -1.0617871793
H    2.4861024006  -3.5487659349   2.4437878028
H    1.4142778052  -2.9669622971  -1.6707923865
H    1.8608613695   5.6173158215  -1.2070918053
*