! 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   -3.2507361228  -0.7384522262   0.2243820707
O   -1.0100139680   2.1292349212  -0.7529615469
N   -1.9198468112   0.3073171299   0.3073148870
C    1.5029528733  -0.5191268916  -0.7073420388
C    0.4270742130  -1.5211456278  -0.2962387560
C    2.6980694089  -0.4533698231   0.2357924235
C   -0.1846962463  -1.2969290643   1.0822710361
C    3.7792823595   0.4971542361  -0.2649185146
C   -0.8640486882   0.0521514746   1.2733394442
C    4.9555407260   0.6717385943   0.6906797807
C    5.7633415749  -0.5984862277   0.9162487791
C   -1.9002761005   1.2866549376  -0.6517979074
C   -3.0841119742   1.1492454525  -1.4837838417
C   -3.8690272248   0.1231173637  -1.1194894175
H    1.0693619644   0.4798131335  -0.8109072275
H    1.8558725322  -0.7911793226  -1.7070602479
H    0.8527506465  -2.5285133901  -0.3153493928
H   -0.3654217603  -1.5215935976  -1.0509150552
H    3.1086882744  -1.4598467544   0.3654188214
H    2.3758907964  -0.1263860528   1.2304229844
H    0.5782503050  -1.3794324247   1.8598427376
H   -0.8973267396  -2.0999911062   1.2929306256
H    3.3264583939   1.4764723405  -0.4501327131
H    4.1497029498   0.1480219651  -1.2351585996
H   -0.1526041918   0.8703014994   1.1730330151
H   -1.2785240393   0.1208831839   2.2807526398
H    5.6170718766   1.4482214366   0.2972574725
H    4.5881636267   1.0466276144   1.6511102446
H    5.1764788333  -1.3779527057   1.4037940376
H    6.1295534346  -1.0057537105  -0.0285436541
H    6.6316160227  -0.4069100440   1.5481854007
H   -3.2900645302   1.8179746065  -2.3054467492
H   -4.8002478719  -0.1902550028  -1.5676623319
*