! 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   -2.5458812508   0.2411196784   1.0788055820
O   -1.6120499854   0.1041093340  -2.5676000688
N   -2.0521815744  -0.4520152883  -0.3856946206
C    1.1169581015   0.1778792464   0.2403299170
C    0.9638417816  -1.2518621375  -0.2716237406
C    2.3200387776   0.9110973025  -0.3502324132
C   -0.2242583230  -2.0264148469   0.3001137449
C    3.6812380760   0.2794153209  -0.0685607330
C   -1.5572182670  -1.8183230039  -0.4038188030
C    4.0193837524   0.1607836425   1.4123306861
C    5.4276792339  -0.3613910717   1.6512944430
C   -1.9825606039   0.4223756031  -1.4393401827
C   -2.4186086846   1.7331396917  -0.9866611938
C   -2.7322341846   1.7625154125   0.3185692698
H    1.1858832852   0.1601706512   1.3325154512
H    0.2263563430   0.7679421839   0.0144669146
H    1.8708209058  -1.8078496154  -0.0207115669
H    0.9099719267  -1.2498873222  -1.3656572348
H    2.3238414607   1.9371611858   0.0305128409
H    2.1852731976   0.9933338543  -1.4333966152
H   -0.3255118215  -1.8202607942   1.3705409053
H   -0.0232690230  -3.0979818652   0.2261533359
H    4.4499270944   0.8848974961  -0.5593934343
H    3.7445614161  -0.7089290665  -0.5349601851
H   -2.3158451132  -2.4670958549   0.0376006487
H   -1.4784739482  -2.1008836129  -1.4528754991
H    3.9066727608   1.1400779629   1.8885487675
H    3.3034238919  -0.5005587788   1.9085402818
H    6.1761186039   0.2958775826   1.2045542518
H    5.6519103108  -0.4382166528   2.7160532221
H    5.5622465788  -1.3535609288   1.2161484229
H   -2.4691653201   2.5845228620  -1.6477642417
H   -3.0810471660   2.6055738516   0.8962465043
*