! 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   -3.1999348691  -0.5760012725   0.3748336090
O   -0.8356519883   2.0112935295  -1.0078698750
N   -1.8036305185   0.3795957792   0.2844377471
C    1.4623542213  -0.8861957138  -0.7585168414
C    0.3359050086  -1.7217153791  -0.1547541333
C    2.7005927281  -0.7708491838   0.1220775831
C   -0.1725957315  -1.2540206581   1.2043979103
C    3.8386489381  -0.0252209355  -0.5647618282
C   -0.7201350738   0.1661097957   1.2295032962
C    5.1166415488   0.0702036496   0.2633243480
C    4.9601158181   0.8568219848   1.5573298270
C   -1.7713566819   1.2471251526  -0.7769193171
C   -3.0032156761   1.1044292876  -1.5346920951
C   -3.8310320946   0.1784102654  -1.0265247095
H    1.1003020862   0.1163285906  -1.0057426444
H    1.7450717685  -1.3393899294  -1.7136578729
H    0.6773016792  -2.7553432948  -0.0488011919
H   -0.4980921908  -1.7581961011  -0.8623276863
H    3.0417322762  -1.7728933076   0.4073877644
H    2.4427314875  -0.2620522082   1.0554649643
H    0.6234975007  -1.2998276249   1.9509742975
H   -0.9376103738  -1.9507874765   1.5602839188
H    3.5022628693   0.9842096545  -0.8269160290
H    4.0676619234  -0.5224023326  -1.5126864466
H    0.0535713521   0.8895687255   0.9762532867
H   -1.0654391826   0.4162862409   2.2342641226
H    5.4773439070  -0.9379164878   0.4901736378
H    5.8953810568   0.5386809447  -0.3444492137
H    4.5909739491   1.8663173279   1.3635660648
H    4.2626044090   0.3798447462   2.2472235502
H    5.9135003287   0.9516139795   2.0789754478
H   -3.2089642258   1.6950746784  -2.4141730789
H   -4.8021759913  -0.1168077726  -1.3955799442
*