! 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   -1.5956590263  -1.3997442298   0.3400723224
O   -0.6643494857  -0.6140597415  -0.7521220040
O   -1.2177799616  -0.9421493914   1.6559020805
O   -1.4532646708  -2.7886382364  -0.0171529885
N    1.8596398349   2.3732502405   0.2817824943
N   -0.3177478427   1.5481923860  -0.1314641834
N   -3.1244235227  -0.9291860439   0.0189132418
N    0.0271824647   3.7312118910   0.5020374617
C    2.0995418262  -1.3137235983  -0.5110163925
C    2.2178442120  -2.1267662004   0.7829988527
C    1.5601470606   0.0677307365  -0.2837129936
C    2.5096775259  -3.6038012683   0.5436905817
C    2.3638106240   1.1728610270   0.0448289017
C    0.2146922576   0.3738068387  -0.3495764924
C    3.8098870181  -3.8695862263  -0.2007670207
C    0.5312196884   2.5202284453   0.1993808163
C    3.8479719062   1.0301488869   0.1330070557
C   -1.3451053944   4.1108734117   0.2441536618
C   -3.4711274456   0.4448465583   0.3836776691
C   -3.6460342457  -1.3186010333  -1.2921852833
C   -1.6390432620   4.4130701228  -1.2156000977
H    3.0746140519  -1.2474958192  -0.9971067433
H    1.4567658845  -1.8507513307  -1.2119703806
H    1.2896470291  -2.0409561545   1.3517611815
H    2.9975104681  -1.6936355226   1.4176571904
H    2.5375484706  -4.1129001405   1.5103462353
H    1.6736780646  -4.0458562886  -0.0072193378
H    4.0115115995  -4.9393771627  -0.2689209270
H    3.7859575150  -3.4830177005  -1.2205046379
H    4.6590850321  -3.4073991705   0.3067305390
H    4.3096573914   1.9693678580   0.4267809122
H    4.2694958130   0.7265180680  -0.8268448736
H    4.1304216251   0.2667329341   0.8590387901
H    0.7026423215   4.4727134983   0.5927236479
H   -2.0032667802   3.3211698172   0.6046684251
H   -1.5529462836   4.9894734095   0.8535214700
H   -3.1563990509   0.6724723805   1.3969842594
H   -4.5552710070   0.5206814193   0.3501641746
H   -3.0452519599   1.1777902892  -0.3028610784
H   -3.4311756432  -2.3601011934  -1.5098421279
H   -4.7269563798  -1.2060950723  -1.2600329009
H   -3.2570946099  -0.6907378222  -2.0962999980
H   -1.0213716320   5.2347961663  -1.5802751172
H   -2.6835475402   4.7024580751  -1.3370621776
H   -1.4579643200   3.5442698875  -1.8483139613
*