! 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   -2.8125840982  -0.2414166746   0.9526508583
O   -1.0092022556   0.9441665409  -2.1350058230
N   -2.0317600864  -0.3585939913  -0.5463485603
C    0.9633025274  -0.5994628664   0.8604255502
C    0.8015135053  -1.5538080938  -0.3213585253
C    2.1708802914   0.3246753420   0.7427069485
C   -0.5125458468  -2.3388989695  -0.3281884013
C    3.5117009580  -0.3992023340   0.6744558983
C   -1.6621885819  -1.6655661957  -1.0644570134
C    4.7178827794   0.5317324987   0.7598836704
C    4.8163682722   1.5195618250  -0.3941079199
C   -1.6156370413   0.8389521106  -1.0709818701
C   -2.0213260505   1.9075854207  -0.1727262834
C   -2.6513053273   1.4626717475   0.9261788102
H    1.0394401311  -1.1870288908   1.7815003444
H    0.0712900338   0.0197002965   0.9796566889
H    1.6286965920  -2.2668006061  -0.3081010158
H    0.9028809744  -1.0007188068  -1.2606304141
H    2.1795389930   1.0029959208   1.6023795834
H    2.0417626135   0.9590794355  -0.1401293245
H   -0.8117322012  -2.5826907939   0.6961954683
H   -0.3669031732  -3.2991644004  -0.8281092925
H    3.5780534462  -0.9816565377  -0.2500453854
H    3.5643721679  -1.1245684119   1.4932637971
H   -2.5455669509  -2.3059505071  -1.0509012650
H   -1.4024880207  -1.5182837133  -2.1120597536
H    4.6844005855   1.0796756060   1.7067232122
H    5.6292588025  -0.0711608634   0.7919607976
H    5.7244168736   2.1199660966  -0.3236759835
H    4.8393432330   1.0022400916  -1.3557043149
H    3.9736032032   2.2117385330  -0.4147133199
H   -1.8185607021   2.9461488320  -0.3849422927
H   -3.0537506587   2.0468620070   1.7408126087
*