! 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   -3.4131558472  -0.6758948645   0.5560574572
O   -2.3195943296   1.8572559663  -2.0084633647
N   -2.4043460723   0.0568471617  -0.5931292951
C    2.2344302440  -0.2940936249   1.2814378996
C    1.2976629171  -0.5795519614   0.1133127208
C    3.6548813441  -0.8217989317   1.0941413428
C   -0.1187327068  -0.0809955300   0.3704631015
C    4.4338886815  -0.1329216179  -0.0211952095
C   -1.0479297075  -0.4258480109  -0.7833224703
C    5.8574299103  -0.6552221619  -0.2009753670
C    6.7740774790  -0.3918807774   0.9858413211
C   -2.9263035547   1.1786033768  -1.1822106493
C   -4.2692523937   1.3930499758  -0.6686541195
C   -4.6322817931   0.4875440284   0.2533664746
H    1.8095797294  -0.7404779194   2.1856454351
H    2.2703394821   0.7849608620   1.4651422574
H    1.2755567174  -1.6582406777  -0.0748292068
H    1.6775740499  -0.1163436132  -0.8017402275
H    3.6193000228  -1.8994805209   0.8996032809
H    4.1903452687  -0.7033056287   2.0397859289
H   -0.1124377528   1.0023058420   0.5188255888
H   -0.4990119817  -0.5245888777   1.2960938423
H    4.4662251607   0.9447387572   0.1743597141
H    3.9016943159  -0.2523988525  -0.9686175807
H   -1.0795228941  -1.5054831648  -0.9420751965
H   -0.6875565325   0.0169807793  -1.7112950810
H    5.8249484394  -1.7294914806  -0.4071446995
H    6.2906869839  -0.1911076320  -1.0908908798
H    6.8215944648   0.6740254415   1.2180225927
H    6.4434781760  -0.9100281752   1.8867572150
H    7.7911282667  -0.7270112771   0.7778702154
H   -4.8912102566   2.2088837843  -1.0032898883
H   -5.5690047408   0.4268362506   0.7871324184
*