! 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   -1.3668752388   0.6796094085   1.2001043484
O   -2.1270550793   0.1317841524  -2.4487680040
N   -1.7923485232  -0.1769417741  -0.2007521133
C    2.0131338595  -2.2508766876  -0.5472392443
C    0.5837902631  -1.9262695158  -0.9771771316
C    2.5371003105  -1.3999306300   0.6100248117
C   -0.4562935108  -2.2444670787   0.0908111032
C    2.5362442627   0.0979796426   0.3305990890
C   -1.8236864763  -1.6308163174  -0.1720525956
C    3.0866107373   0.9264389325   1.4834986556
C    3.0118592105   2.4212947045   1.2128033576
C   -1.8699112799   0.5881821401  -1.3369650586
C   -1.6077590577   1.9744413727  -0.9859015220
C   -1.3220348464   2.1447086255   0.3143477413
H    2.6759132013  -2.1207128241  -1.4078660138
H    2.0778653519  -3.3082860756  -0.2726922862
H    0.3427039694  -2.4843096561  -1.8858083670
H    0.5309228453  -0.8710700155  -1.2570817619
H    3.5574762931  -1.7204728673   0.8420049468
H    1.9551460380  -1.5947884939   1.5164955081
H   -0.1082397977  -1.9226988373   1.0765661056
H   -0.5902159068  -3.3264264450   0.1656530290
H    1.5175227562   0.4395032905   0.1196172748
H    3.1174757194   0.3010871275  -0.5759566310
H   -2.5381041542  -1.9533978710   0.5866912049
H   -2.2195002109  -1.9512538738  -1.1347250182
H    2.5256414401   0.6937096209   2.3938938647
H    4.1231037160   0.6382414594   1.6830919619
H    3.5826993639   2.6931676347   0.3227998552
H    1.9795442804   2.7392323849   1.0486377348
H    3.4062105741   3.0039648921   2.0462989974
H   -1.6367554106   2.7682297674  -1.7164826922
H   -1.0967776914   3.0680068465   0.8275007823
*