! 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   -1.4219987461   1.5902592942  -0.5213745723
O   -3.6713862918  -1.3025841602   0.3380884383
N   -1.8723001868   0.0956338094   0.1392917152
C    2.0533218878  -1.3301902040  -0.8859889687
C    0.5670395887  -1.4087811572  -1.2286636257
C    2.4324522756  -0.3582835064   0.2250431842
C   -0.3431916397  -1.8628605213  -0.0840694106
C    3.9414737722  -0.2444312148   0.4066850688
C   -0.9042190252  -0.7616467942   0.8085626717
C    4.3469736328   0.6984373783   1.5322297477
C    5.8557046594   0.8119309421   1.6923026176
C   -3.1817046009  -0.2481344868  -0.0636316636
C   -3.8394645824   0.8214620352  -0.7947420261
C   -3.0161984478   1.8404433546  -1.0915128704
H    2.5979826456  -1.0533912533  -1.7942478391
H    2.4069657697  -2.3311021553  -0.6163301321
H    0.4566965772  -2.1151636198  -2.0543591724
H    0.2318144722  -0.4467503721  -1.6285123126
H    1.9881183241  -0.6778035196   1.1729399362
H    2.0185665884   0.6330862810   0.0073955496
H    0.1986611090  -2.5595354207   0.5623091725
H   -1.1870229906  -2.4283904413  -0.4841863340
H    4.3943855690   0.0949607959  -0.5311244031
H    4.3573225176  -1.2390047024   0.6016734673
H   -0.1178771837  -0.1253780036   1.2121657802
H   -1.4082851791  -1.2043320149   1.6677797439
H    3.9242233509   1.6899014134   1.3440681903
H    3.9047690128   0.3524898931   2.4713188448
H    6.3045629786  -0.1573518800   1.9170104650
H    6.3233267353   1.1860522659   0.7796979850
H    6.1235189181   1.4928768515   2.5011167437
H   -4.8843255743   0.7811424674  -1.0614826116
H   -3.2549449757   2.7489096550  -1.6242626875
*