! 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   -3.1519407041  -0.1615276893   0.7240745257
O   -0.7111546669   1.0244910227  -1.8887150895
N   -2.0137219213  -0.2842886441  -0.5241042073
C    1.5275422705  -1.2088701544  -0.1002400261
C    0.3780461838  -1.5111138068   0.8526863318
C    2.6744249973  -0.4702533458   0.5780617612
C   -0.7675516175  -2.2997728197   0.2302953881
C    3.7954240850  -0.1088279789  -0.3886677175
C   -1.4981871342  -1.5891963765  -0.9025594925
C    4.9887651105   0.5853575056   0.2607544879
C    4.6615746302   1.9464189813   0.8587500398
C   -1.5490242447   0.9174970524  -0.9955484048
C   -2.2200313359   1.9902545079  -0.2802294348
C   -3.0829974134   1.5475963950   0.6472117058
H    1.1715758481  -0.6057793465  -0.9396724083
H    1.8980847766  -2.1452760404  -0.5315916811
H   -0.0014397453  -0.5745755705   1.2759272026
H    0.7603732611  -2.0833819266   1.7028425032
H    3.0783259056  -1.0851083116   1.3900941374
H    2.2802386731   0.4351556085   1.0504644374
H   -1.4841992455  -2.5769602250   1.0091722865
H   -0.3936474611  -3.2437563283  -0.1755373741
H    3.3944736096   0.5319489033  -1.1819507958
H    4.1421142688  -1.0208097853  -0.8849438182
H   -2.3223168128  -2.2083328555  -1.2612084966
H   -0.8419575635  -1.4233201580  -1.7547277700
H    5.4086899826  -0.0636112820   1.0356235216
H    5.7755363843   0.7070578934  -0.4885525149
H    4.2217962727   2.6101330301   0.1110799571
H    3.9564282549   1.8735504979   1.6876735628
H    5.5584266062   2.4350142690   1.2421260742
H   -2.0244458778   3.0306123959  -0.4901563025
H   -3.7060765308   2.1336007675   1.3068530067
*