! 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   -2.5662483175   0.2166346499   1.0848795395
O   -1.8600664489   0.1864415848  -2.6150384259
N   -2.1071606426  -0.4200765676  -0.4162304005
C    1.0569722122  -0.0732822973  -0.0902732408
C    0.9032219366  -1.5913616192  -0.1073550052
C    2.4919095162   0.3950155389  -0.3236289200
C   -0.4450093286  -2.1344123088   0.3564955142
C    3.4415902482   0.1300094275   0.8386068832
C   -1.6513465350  -1.7981933364  -0.5102825085
C    4.8469499082   0.6613020040   0.5866590998
C    5.7916529017   0.4199342728   1.7538334755
C   -2.1660422824   0.4686971398  -1.4573253571
C   -2.6337369663   1.7488970504  -0.9534236019
C   -2.8765939331   1.7385708281   0.3666233497
H    0.6968242403   0.3280121815   0.8636298762
H    0.4277705570   0.3683640123  -0.8645997828
H    1.6655911310  -2.0401040774   0.5352495140
H    1.1103270019  -1.9608162326  -1.1170963470
H    2.4814795776   1.4705936027  -0.5252839287
H    2.8844767867  -0.0756998358  -1.2320575836
H   -0.6297043250  -1.8373787664   1.3942442888
H   -0.3871390327  -3.2252464480   0.3756612603
H    3.4995188242  -0.9428461755   1.0483424727
H    3.0364932666   0.5936150966   1.7450853788
H   -2.4830540927  -2.4561880606  -0.2512272721
H   -1.4257670473  -1.9769768205  -1.5609493002
H    5.2540404328   0.1944560136  -0.3155323035
H    4.7948858078   1.7336191269   0.3743673044
H    5.4300605362   0.9035039361   2.6634456517
H    5.8943780115  -0.6455974098   1.9684596363
H    6.7895654989   0.8105643018   1.5498929553
H   -2.7620430677   2.6082799344  -1.5936664539
H   -3.2285787267   2.5533370004   0.9821252305
*