! 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   -2.6555528649   0.1694054184  -1.2244726163
O   -0.7637216974   0.5956808786   2.0068119198
N   -1.9001984496  -0.2953382355   0.2205179535
C    1.4566620405  -1.8210498163   0.5271762638
C    0.5630984772  -1.7548096525  -0.7058615428
C    2.8201213790  -1.1638182497   0.3367333031
C   -0.8037206248  -2.4012503148  -0.5175379561
C    2.7600467580   0.3450063999   0.1233735526
C   -1.7001009352  -1.7073948169   0.5017638167
C    4.1385884525   0.9918540645   0.0832906720
C    4.0828159611   2.4947987738  -0.1429160389
C   -1.3635368930   0.7402905924   0.9441216294
C   -1.6414075482   1.9875038468   0.2502153654
C   -2.3141959696   1.8152184232  -0.8978479161
H    1.5995350821  -2.8715669949   0.7996411057
H    0.9603768931  -1.3508737573   1.3803174236
H    1.0692997530  -2.2546807452  -1.5369807645
H    0.4307456748  -0.7165383811  -1.0254347232
H    3.3406363315  -1.6311099058  -0.5065203781
H    3.4335991272  -1.3695874053   1.2196385693
H   -0.6884077914  -3.4376533842  -0.1883560211
H   -1.3194414362  -2.4515996586  -1.4808818289
H    2.1626540611   0.7994743996   0.9222900241
H    2.2351927048   0.5746842351  -0.8091829027
H   -1.2775332062  -1.7632511982   1.5031107915
H   -2.6711432901  -2.2032393442   0.5454372106
H    4.6655677406   0.7827676857   1.0193869289
H    4.7333324185   0.5254895801  -0.7082945784
H    5.0806241704   2.9352215176  -0.1647795276
H    3.5976205906   2.7364598372  -1.0906395925
H    3.5212157333   2.9946824312   0.6487330033
H   -1.3282236424   2.9440623915   0.6397071454
H   -2.6456598274   2.5739746433  -1.5915610359
*