! 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   -3.0539964335  -0.2567192006  -1.1096149047
O   -0.9919491533   1.2079709395   1.6821933447
N   -2.0830295291  -0.2439136523   0.2786440084
C    1.5235832487  -1.1680535475   0.3889978121
C    0.4908405712  -1.5220095682  -0.6734858297
C    2.7534663646  -0.4802278019  -0.1908222940
C   -0.7210948388  -2.2792510230  -0.1441873738
C    3.7654122372  -0.0868529454   0.8783405017
C   -1.5935843159  -1.4966241770   0.8287479221
C    5.0498443657   0.5317617281   0.3349906050
C    4.8409147427   1.8455568611  -0.4050262979
C   -1.7094740412   1.0054980279   0.7047205507
C   -2.3085641482   1.9967086925  -0.1736611622
C   -3.0354445487   1.4546840205  -1.1631140389
H    1.8294807452  -2.0796166282   0.9142438359
H    1.0793901865  -0.5145988649   1.1455002199
H    0.9673191179  -2.1389399375  -1.4409229820
H    0.1659595433  -0.6111110899  -1.1881535509
H    2.4333264735   0.4054965768  -0.7486075761
H    3.2332704604  -1.1423192882  -0.9205501439
H   -0.3968373881  -3.1845490152   0.3762047319
H   -1.3311381370  -2.6252260848  -0.9840052785
H    4.0219225377  -0.9744558967   1.4656146918
H    3.2954206874   0.6123865463   1.5789639192
H   -1.0451491295  -1.2391620705   1.7329128927
H   -2.4431845782  -2.1054449878   1.1430588030
H    5.7383702112   0.6989917271   1.1676340035
H    5.5457873127  -0.1853618396  -0.3265042676
H    4.2378737691   1.7195309915  -1.3051851941
H    4.3366803075   2.5794109725   0.2274808244
H    5.7926574988   2.2796692359  -0.7145534559
H   -2.1666148679   3.0563233742  -0.0257868463
H   -3.5812754423   1.9659402141  -1.9424474741
*