! 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   -1.2105948595   0.8964213708  -1.6267809849
O   -3.1300347913  -0.0905098440   1.4556798126
N   -1.9300689924  -0.1350933453  -0.4912399646
C    1.9222147410  -2.0605369736   0.7289953005
C    0.7869619645  -1.6148136343  -0.1831759581
C    3.3075823785  -1.6707739155   0.2165413043
C   -0.5800649372  -2.0747984880   0.3025554665
C    3.5000809552  -0.1819210819  -0.0648712845
C   -1.7397565236  -1.5783885083  -0.5481448139
C    3.2405966040   0.7254579512   1.1312016539
C    3.5267333032   2.1876164999   0.8251305003
C   -2.5727569180   0.5046323042   0.5340423210
C   -2.4791845610   1.9388126566   0.3252177667
C   -1.7828282458   2.2652613722  -0.7763457956
H    1.8867480242  -3.1475752096   0.8509049419
H    1.7618292211  -1.6439979802   1.7285056763
H    0.9584677676  -1.9932663140  -1.1971277867
H    0.8025595698  -0.5243606200  -0.2599209564
H    3.5171650483  -2.2299550340  -0.7006090545
H    4.0566436595  -1.9952030639   0.9454818570
H   -0.7360393909  -1.7656516352   1.3396942585
H   -0.6231706245  -3.1675022334   0.2983361362
H    2.8586856624   0.1283327314  -0.8963780783
H    4.5261433361  -0.0253909103  -0.4125414562
H   -2.6734034801  -2.0379279308  -0.2248561653
H   -1.6014963033  -1.8618179396  -1.5928185800
H    2.2014786774   0.6266879805   1.4586913917
H    3.8556549478   0.3985507345   1.9754787909
H    4.5680718277   2.3364032899   0.5331712203
H    2.9025373976   2.5491460356   0.0053869320
H    3.3333996466   2.8247857157   1.6891174007
H   -2.9257159893   2.6518852748   1.0007820244
H   -1.5665532097   3.2542029477  -1.1528754753
*