! 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   -1.6154068951   0.8077800672   1.2024483850
O   -1.6087994923   0.0523814304  -2.4882411615
N   -1.7283526887  -0.1302658918  -0.2054770123
C    2.0020317338  -2.4492043195  -0.3092354014
C    0.5713499234  -2.2281314285  -0.8184995287
C    2.8156929377  -1.1616825130  -0.1835067140
C   -0.4712666897  -2.2096367415   0.2986381672
C    2.1972052014  -0.0881089190   0.7029351565
C   -1.8011202594  -1.5795248278  -0.0906938163
C    3.0510712686   1.1700144026   0.7962375849
C    2.3968072901   2.2640464959   1.6261752735
C   -1.5720986810   0.5704619185  -1.3739533142
C   -1.3796831143   1.9757022352  -1.0533596484
C   -1.3778264812   2.2211034227   0.2664836933
H    2.5357028913  -3.1208603648  -0.9854383508
H    1.9741633785  -2.9636816513   0.6573140205
H    0.2965727140  -3.0137489593  -1.5264684634
H    0.5396184014  -1.2972051160  -1.3914577208
H    2.9665318512  -0.7451111549  -1.1854871903
H    3.8135565045  -1.4075000084   0.1935826521
H   -0.0807021088  -1.6959351148   1.1817583934
H   -0.6695505708  -3.2347377611   0.6210291509
H    2.0269866175  -0.4876828782   1.7086737852
H    1.2106760149   0.1895259446   0.3175464966
H   -2.5693854081  -1.8250320183   0.6433437053
H   -2.1553488037  -1.9582921035  -1.0490028141
H    4.0273115797   0.9185103597   1.2216049757
H    3.2483278433   1.5473846550  -0.2119759058
H    1.4423267950   2.5691403320   1.1921839233
H    2.1981050966   1.9257038699   2.6448369779
H    3.0266914034   3.1521926434   1.6910741181
H   -1.2493672582   2.7272549307  -1.8169050159
H   -1.2638720966   3.1734581156   0.7636024845
*