! 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   -1.9092732201   1.3280511142  -1.1842716342
O   -3.4065093450  -1.4143743779   0.9192111395
N   -2.2281737377  -0.2543685990  -0.6710981129
C    1.8382242809  -1.3825891378   0.7918586629
C    0.3406935251  -1.3179920366   0.5069038604
C    2.6121201570  -0.1422358384   0.3595244006
C    0.0002130939  -1.3085487639  -0.9767200644
C    4.0829536362  -0.1939460444   0.7509843787
C   -1.4936700871  -1.3646330348  -1.2555385588
C    4.8652879379   1.0415370415   0.3250912385
C    6.3318920271   0.9794565308   0.7228027401
C   -3.0862909306  -0.3498318889   0.3935368181
C   -3.5313716486   0.9856377722   0.7548829003
C   -2.9773763985   1.9480128938   0.0006528162
H    2.2637348624  -2.2669323879   0.3050425844
H    1.9829345529  -1.5311678434   1.8663074957
H   -0.0744010377  -0.4278484480   0.9913880296
H   -0.1510938318  -2.1758617855   0.9754303515
H    2.1479178356   0.7444401667   0.8058963181
H    2.5375579171  -0.0086689263  -0.7243137177
H    0.4483347867  -2.1784470934  -1.4650541516
H    0.4353659116  -0.4338276277  -1.4688696661
H    4.5454204207  -1.0841367593   0.3102944377
H    4.1657670408  -0.3172256129   1.8365263900
H   -1.9261418578  -2.2717565505  -0.8348840009
H   -1.6842656842  -1.3910932796  -2.3297734767
H    4.7858349613   1.1650348886  -0.7593489996
H    4.4047381453   1.9314329060   0.7650940174
H    6.4461146279   0.8910931186   1.8050018756
H    6.8297038303   0.1196337750   0.2702332073
H    6.8721165606   1.8734939365   0.4084428995
H   -4.2310027511   1.1625251270   1.5572649359
H   -3.1378792165   3.0140720267   0.0648946281
*