! 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   -2.9673763844   0.0787040719   0.6298177012
O   -0.2127099225   0.6904810466  -1.8663444449
N   -1.8059720442  -0.3010207063  -0.5450515069
C    1.6377779558  -1.9462156852  -0.1429823511
C    0.4837689373  -1.7509969583   0.8340378453
C    2.9208760260  -1.2321788653   0.2730863346
C   -0.8230871217  -2.3870665617   0.3746657001
C    2.8794116287   0.2788489002   0.0744998251
C   -1.4842224021  -1.6934384372  -0.8096473975
C    4.1704200998   0.9691416929   0.4946337812
C    4.1617339889   2.4635955625   0.2116084375
C   -1.1037985909   0.7761389727  -1.0259527980
C   -1.6141130179   1.9833735149  -0.3949928616
C   -2.5912905220   1.7433606524   0.4926296752
H    1.3531153405  -1.6026962580  -1.1412379954
H    1.8325896683  -3.0188282766  -0.2345128004
H    0.3241473209  -0.6869450172   1.0343590629
H    0.7625893198  -2.1909094534   1.7954856671
H    3.7572976697  -1.6351003818  -0.3061660918
H    3.1444245320  -1.4617735734   1.3210084235
H   -1.5284640475  -2.4235386471   1.2098486746
H   -0.6516658605  -3.4279124528   0.0860587915
H    2.0426875471   0.7135402613   0.6303788408
H    2.6784005357   0.4933723144  -0.9800022805
H   -2.3975705911  -2.2195152645  -1.0918241461
H   -0.8389358198  -1.6988384158  -1.6864309548
H    4.3430995850   0.7989409935   1.5615802589
H    5.0149522665   0.5060399749  -0.0253600884
H    3.3399949724   2.9621043629   0.7294723449
H    5.0887371548   2.9395411701   0.5342643130
H    4.0450672948   2.6634250305  -0.8552445260
H   -1.2295331957   2.9633747771  -0.6318433668
H   -3.1373382752   2.4611427658   1.0869367542
*