! 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    1.3092264771  -1.8265920657   0.8578139841
O    0.9068697618  -1.5301424043   2.2139996156
O    1.6729456325  -3.1777471206   0.4986492906
O    2.3534510647   2.5805842880   1.8169507188
O    0.5930400434   1.2813733756   1.3252806500
O    1.0893683119  -1.7535124492  -2.0546036452
O   -5.0212029078   1.0473181282  -3.0207162583
O   -3.6662225296   0.5088554601   1.3827834164
N    3.7999202326  -1.1478841943  -0.1359866698
N    0.0499976453  -1.3210066620  -0.0849532716
N    4.6594448843  -0.1430796861  -0.2174285693
N   -0.9715062334  -0.8365904080  -2.1133182794
N   -2.9912303247   0.0962003731  -2.5694579041
N   -2.3023471243  -0.1685178311  -0.3265122640
C    2.6446938435  -0.7574577116   0.4354724985
C    2.7773933269   0.5872065427   0.7499444403
C    4.0656273002   0.9065356095   0.3123515514
C    4.2109667870  -2.4476157145  -0.6395019090
C    1.7807533731   1.4944017121   1.3262772469
C    0.1210936000  -1.3336819783  -1.4535985097
C    1.5096677439   3.6025843513   2.3823107294
C   -2.1403710085  -0.2797022808  -1.6332080896
C    1.0624845066   3.2650185504   3.7853968678
C   -4.1207997137   0.6426263383  -2.1410444653
C   -3.4424361908   0.3780941349   0.0868312847
C   -4.4153714603   0.8165283042  -0.7945152533
C   -4.7584049857   0.8770756372  -4.4118567588
C   -2.6770800347   0.0626855188   2.3087867299
H    4.5697064345   1.8585170464   0.3491616401
H   -0.7338774338  -0.8182233351   0.3547350917
H    4.3447116256  -3.1557344102   0.1730267998
H    5.1617827064  -2.3006788990  -1.1390799612
H    3.4907903934  -2.8309588709  -1.3535793757
H    0.6598149743   3.7887224856   1.7248569743
H    2.1339447630   4.4936663482   2.3832504011
H    1.9135104607   3.0719675962   4.4383922557
H    0.5181099566   4.1171554278   4.1933831606
H    0.3974963067   2.4030760983   3.8135085381
H   -5.3394624604   1.2624408457  -0.4573480666
H   -5.6289657835   1.2767077387  -4.9242398935
H   -3.8735281069   1.4292871918  -4.7263866157
H   -4.6403702813  -0.1737485986  -4.6739648062
H   -2.4778826121  -1.0039359179   2.2037821669
H   -1.7504953229   0.6264390985   2.2067194011
H   -3.0956071698   0.2454289587   3.2944865000
H   -0.8967585697  -0.8714754983  -3.1214955392
*