! 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   -2.9520747636  -0.0720366137   1.0513314753
O   -2.1633237611   0.6477588721  -2.5604294674
N   -2.3626125668  -0.3611687868  -0.5099754277
C    1.9843137375  -0.5244954794   0.4229456903
C    0.6535163049  -0.4281462675  -0.3118320756
C    2.9019912993   0.6576815765   0.1349469261
C   -0.2670998644  -1.6024002325  -0.0151973557
C    4.2122245055   0.6416184507   0.9159561013
C   -1.5822828115  -1.5583485774  -0.7771565517
C    5.1551855636  -0.4958801711   0.5414319115
C    6.4845474199  -0.4176225756   1.2764023608
C   -2.5551248927   0.6677989352  -1.3951037437
C   -3.2860980094   1.7296501023  -0.7238432999
C   -3.5460066975   1.4577787197   0.5647676821
H    2.4772015836  -1.4622535709   0.1489215397
H    1.7995176939  -0.5821536090   1.5015399037
H    0.8322762411  -0.3720852696  -1.3908056261
H    0.1618884811   0.5102444581  -0.0347563076
H    2.3644765831   1.5830483889   0.3648783336
H    3.1204387514   0.6954593802  -0.9380853165
H   -0.4580693712  -1.6653756196   1.0612062961
H    0.2248655528  -2.5405675254  -0.2856956808
H    3.9950196902   0.5949032611   1.9890485564
H    4.7304035278   1.5927005276   0.7563969618
H   -2.1891868361  -2.4361934334  -0.5485573008
H   -1.4000684173  -1.5705922325  -1.8510110491
H    4.6853689510  -1.4604455687   0.7516917676
H    5.3324879815  -0.4743125043  -0.5385986732
H    7.1491629397  -1.2352913555   0.9941361153
H    7.0041301015   0.5176580932   1.0584686731
H    6.3439253121  -0.4686176072   2.3579831154
H   -3.5734259028   2.6395765112  -1.2277930783
H   -4.0689224714   2.0757018017   1.2798085153
*