! 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   -2.2860362726   0.5571104992   1.0459938208
O   -1.9549326324  -0.1779736997  -2.6341485245
N   -2.0042572151  -0.3642441398  -0.3484787921
C    1.2084971438  -0.0594314474  -0.2228574346
C    0.9860220227  -1.5614638018  -0.0817938304
C    2.5863765894   0.3013861725  -0.7770542000
C   -0.3244332366  -1.9887487352   0.5735115457
C    3.7796796831  -0.0973237553   0.0882145900
C   -1.5986425069  -1.7560952196  -0.2270849368
C    3.7774018263   0.5243907435   1.4797683641
C    5.0537860174   0.2318618515   2.2536589090
C   -2.1336889504   0.3235410128  -1.5251921429
C   -2.5036765195   1.6967283184  -1.2257862316
C   -2.6122446731   1.9378135457   0.0903583381
H    1.0526379606   0.4275824096   0.7449581366
H    0.4637444607   0.3695022252  -0.8955594929
H    1.7948102399  -1.9855823694   0.5197653811
H    1.0663258780  -2.0350712093  -1.0660203426
H    2.6215109134   1.3829715903  -0.9403887197
H    2.6981226048  -0.1546549109  -1.7659938306
H   -0.4122941596  -1.5356806428   1.5663712310
H   -0.2840261963  -3.0661959533   0.7510678508
H    4.6942580854   0.2049047130  -0.4321146440
H    3.8402398612  -1.1865629772   0.1786714157
H   -2.4197785020  -2.3175789415   0.2234352936
H   -1.4817607055  -2.1311476395  -1.2437641381
H    3.6441273608   1.6073819391   1.3912285515
H    2.9193776603   0.1592755394   2.0513929665
H    5.0316725288   0.6801847793   3.2478645054
H    5.2038156364  -0.8418268661   2.3816672277
H    5.9304439503   0.6255521517   1.7357051986
H   -2.6657661926   2.4326763503  -1.9979465358
H   -2.8721410726   2.8683635501   0.5725322516
*