! 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 "WATER"
end
*xyz 0 1
S   -1.1101752519   0.7640190281   0.9157552894
O   -3.2565061025  -0.1944013956  -2.0224100679
N   -1.9029373437  -0.2559633468  -0.1796348338
C    1.4108621171  -1.9137967193   0.4259508003
C    0.7778412191  -1.5519596016  -0.9137485283
C    2.8007752363  -1.3185941494   0.6345486457
C   -0.6039859612  -2.1577502656  -1.1365142726
C    2.8130403928   0.1985363106   0.7860651958
C   -1.6821133601  -1.6947916226  -0.1658508493
C    4.1964676192   0.7586138118   1.0901238406
C    4.1958502120   2.2719394677   1.2445031036
C   -2.6387658264   0.3923494153  -1.1346037320
C   -2.5562696251   1.8231961089  -0.8988478676
C   -1.7803219044   2.1388189274   0.1515485543
H    1.4723422095  -3.0041538066   0.4988083146
H    0.7702186925  -1.5968802201   1.2559657641
H    1.4347348116  -1.9028171172  -1.7150658458
H    0.7245449805  -0.4664899559  -1.0334951906
H    3.4509926897  -1.6092521736  -0.1977822683
H    3.2421072786  -1.7637384072   1.5317755694
H   -0.5483401526  -3.2469860271  -1.0527204859
H   -0.9341892355  -1.9457243661  -2.1558264564
H    2.1252009935   0.4850007546   1.5891794074
H    2.4283377213   0.6732564697  -0.1217525323
H   -1.4513378364  -1.9913512988   0.8574127647
H   -2.6318277403  -2.1703903256  -0.4103004119
H    4.5811075574   0.2982291542   2.0053923574
H    4.8890761245   0.4726538752   0.2925797951
H    3.8523222265   2.7629734106   0.3320933311
H    3.5342965725   2.5867624212   2.0538625864
H    5.1924440376   2.6547185299   1.4681514665
H   -3.0708630178   2.5422978930  -1.5172816630
H   -1.5537054974   3.1227317317   0.5347738136
*