! 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   -2.9333500358  -0.2393914758   1.0327710929
O   -2.3663930229   1.1373928626  -2.4234678232
N   -2.2042076828   0.6816300651  -0.1878854004
C    1.8822374242  -1.2109620665   0.2506743702
C    0.5465566023  -0.5342083090   0.5496589386
C    3.1059355612  -0.4225746083   0.7038945945
C    0.2937675883   0.7181806992  -0.2802531557
C    4.4084884674  -1.1725496018   0.4488792862
C   -0.9937174436   1.4498085674   0.0668155769
C    5.6538883101  -0.4713645826   0.9833158156
C    5.9543259463   0.8594257217   0.3087162588
C   -2.7823273280   0.5562284066  -1.4216278094
C   -3.9210065016  -0.3396634059  -1.3170816720
C   -4.0986602151  -0.8213089791  -0.0755023691
H    1.9529099862  -1.4134677323  -0.8235996882
H    1.8948401097  -2.1883733104   0.7424400138
H    0.5002763904  -0.2832411013   1.6154041118
H   -0.2528033886  -1.2582888583   0.3714141678
H    3.0177234161  -0.2093334037   1.7754344832
H    3.1325995212   0.5484004534   0.2017047526
H    0.2946601968   0.4666159200  -1.3443650306
H    1.1026295156   1.4386791056  -0.1342505765
H    4.5246280576  -1.3444365056  -0.6269825390
H    4.3391586313  -2.1645376243   0.9068565460
H   -1.0711170411   2.3715994785  -0.5095420549
H   -0.9954689140   1.7430247366   1.1179282463
H    5.5480712606  -0.3189879540   2.0620816982
H    6.5131354997  -1.1354066952   0.8559879117
H    5.1721150217   1.5980005220   0.4879217011
H    6.8889940288   1.2850016191   0.6765790914
H    6.0524220706   0.7398758189  -0.7723081233
H   -4.5459204615  -0.5828066760  -2.1624351741
H   -4.8648648163  -1.5011738401   0.2664947484
*