! 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    0.2976985829  -1.2393791900   0.0118908669
O   -2.2322265683  -1.4438695132   0.0183835472
N   -1.6088310540   0.7394209550  -0.0073045687
N    0.6443619499   1.3308078945  -0.0132688795
N   -3.8455228338   0.1431033674  -0.0038658938
C    1.9231447463  -0.6255820616   0.0055634024
C    1.8993828075   0.7736203005  -0.0080160562
C   -0.2720090969   0.4216361897  -0.0041753106
C    3.1156475184  -1.3373230849   0.0129997203
C    3.1013419970   1.4807028106  -0.0147674681
C   -1.9971065648   2.1446395985  -0.0200468863
C   -2.5709544794  -0.2639202074   0.0032296294
C    4.3017094796  -0.6218969795   0.0063343702
C    4.2915278531   0.7755267603  -0.0075047235
C   -4.9638178746  -0.7714435326   0.0065150250
H    3.1255904185  -2.4193340721   0.0238320310
H    3.0965919519   2.5627804817  -0.0254515742
H   -2.5734234824   2.3804913230  -0.9136311232
H   -1.1078729558   2.7609984336  -0.0248650232
H   -2.5751134535   2.3962745697   0.8682188787
H    5.2443855772  -1.1524027001   0.0124883498
H    5.2296648700   1.3144732340  -0.0120540243
H   -4.0707282888   1.1236191536  -0.0198014655
H   -5.5800606972  -0.6336152118  -0.8808352232
H   -5.5852007208  -0.6074135144   0.8858263817
H   -4.6133959537  -1.7976370835   0.0228749331
*