! 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   -1.7665954134   0.4001131356  -1.6290997672
O   -1.8473825138   0.2191998082   2.1318798249
N   -1.8877566550  -0.3151869401  -0.0987178352
C    1.1631915738  -1.0745664809   0.1852114061
C    0.5138144655  -2.4535952611   0.1195090033
C    2.6194617514  -1.1416223765   0.6322605990
C   -0.8281611782  -2.5320850919  -0.6014749353
C    3.2410942061   0.2214595597   0.9199135917
C   -1.9846864631  -1.7612220220   0.0215511470
C    3.2734716786   1.1662769811  -0.2754446659
C    3.9599243697   2.4858773767   0.0435979507
C   -1.7957942533   0.5613741633   0.9516253322
C   -1.6276629917   1.9053078592   0.4259135002
C   -1.5959387501   1.9464389891  -0.9151751242
H    0.6210743324  -0.4330839912   0.8836817995
H    1.0959176031  -0.5924782188  -0.7946128836
H    0.4041953922  -2.8510836598   1.1336526120
H    1.1975877389  -3.1355661099  -0.3959332209
H    3.2101287516  -1.6624649292  -0.1290840913
H    2.6853094142  -1.7552643665   1.5365663897
H   -1.1450043391  -3.5773286903  -0.6288906061
H   -0.7042991412  -2.2402557207  -1.6496643779
H    4.2633161785   0.0760134337   1.2836086441
H    2.6953866315   0.6999539569   1.7408945765
H   -2.0569700500  -1.9773371426   1.0868420954
H   -2.9247358021  -2.0855673074  -0.4287605212
H    3.7861114028   0.6774868770  -1.1100786433
H    2.2559486830   1.3683517971  -0.6209726375
H    4.9933293465   2.3312033767   0.3599635217
H    3.9775820257   3.1496490626  -0.8218484266
H    3.4467648196   3.0134231938   0.8501186372
H   -1.5334765189   2.7671937850   1.0686030985
H   -1.4825342820   2.8128558676  -1.5499580393
*