! 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   -3.0780205168  -0.5457097126   0.6138884422
O   -1.1421904910   1.7946175628  -1.6149894484
N   -2.0511117132  -0.0781742124  -0.6524579689
C    1.8562354199  -1.5249217952   0.9065568323
C    0.7676627560  -0.7976837174   0.1254849533
C    2.7811471215  -0.5975883163   1.6905692564
C   -0.2269306541  -1.7613464399  -0.5058691042
C    3.5458761894   0.4257726111   0.8547089168
C   -1.2837615699  -1.0849739238  -1.3664159997
C    4.4755969331  -0.1845957232  -0.1873874653
C    5.2997551813   0.8640725059  -0.9194315462
C   -1.8815183767   1.2757276303  -0.7816093822
C   -2.7148825759   1.9465049586   0.2032256728
C   -3.3838857835   1.0949138917   0.9960218183
H    2.4371798288  -2.1511965757   0.2227168566
H    1.3837631566  -2.2154105574   1.6123152012
H    1.2135126197  -0.1781743533  -0.6584754393
H    0.2448949694  -0.1108837243   0.7998982639
H    3.5002049352  -1.2062381364   2.2477614205
H    2.1883917878  -0.0662526136   2.4417286775
H   -0.7086948604  -2.3619359540   0.2722070598
H    0.2998263552  -2.4707049154  -1.1499288209
H    4.1370335808   1.0507262566   1.5316755046
H    2.8459258975   1.1068014741   0.3601874471
H   -1.9712782075  -1.8252483267  -1.7788168656
H   -0.8223093844  -0.5762230373  -2.2116381630
H    5.1444780050  -0.9007767085   0.3002391102
H    3.8966128541  -0.7576677817  -0.9170164500
H    5.9251113151   1.4310737740  -0.2272890988
H    5.9585592277   0.4104769541  -1.6609745690
H    4.6592093348   1.5772326941  -1.4416528777
H   -2.7686379332   3.0215120959   0.2772942335
H   -4.0630275590   1.3358997015   1.8001376220
*