! 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    0.9076005623  -1.3406106661  -0.6926600953
O    2.9169254791   0.3455319416   0.9964453666
O    0.6281833720   2.0752550611  -2.1631324881
N   -1.1305451585   0.9344739909  -1.3693559607
C    1.7056838225  -1.7721872662   0.8628952665
C    3.0395288786  -1.0712948506   0.9566877647
C    1.0970495105   0.4093340470  -0.5476878934
C    2.0187928518   0.9993674114   0.2371206698
C    0.1959459646   1.2175774945  -1.4016646109
C    2.1509347869   2.4742537966   0.4414662910
C   -1.8640995244   0.2157929202  -0.4101610980
C   -1.5621673588   0.2697464388   0.9475564873
C   -2.9609784662  -0.5245033901  -0.8404341251
C   -2.3262385945  -0.4498028228   1.8530968351
C   -3.7340263200  -1.2224044889   0.0745294565
C   -3.4141067393  -1.1990507706   1.4250742353
H    1.8643443786  -2.8497533234   0.8636332673
H    1.0567074057  -1.5195101619   1.7033355018
H    3.5447149223  -1.3429753216   1.8834055910
H    3.6796617980  -1.3629797097   0.1217944204
H    2.3618956503   2.6809335411   1.4907235996
H    1.2567321188   3.0252588168   0.1673043330
H    2.9824947218   2.8720152150  -0.1430705285
H   -1.6705775941   1.3546190811  -2.1143115313
H   -0.7392017657   0.8736999268   1.3041853163
H   -3.2058271474  -0.5589327438  -1.8948405764
H   -2.0775132251  -0.4071206403   2.9053726001
H   -4.5851299190  -1.7926738339  -0.2736266935
H   -4.0124365737  -1.7504468933   2.1379381350
*