! 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   -1.6064412793   0.9427304558   1.2152000533
O   -1.7254468996   0.0494312850  -2.4413571898
N   -1.7083743866  -0.0535935269  -0.1509722842
C    2.1886602062  -2.2744438694  -0.5205273886
C    0.7717930039  -1.8165883608  -0.8542906878
C    2.9437343558  -1.4474409842   0.5208064758
C   -0.1997252628  -1.9740440721   0.3081464576
C    3.2209089497   0.0066644483   0.1185157519
C   -1.6123204525  -1.4965214802   0.0079905596
C    2.1724107634   1.0382895657   0.5371636835
C    2.0819241392   1.2427140265   2.0415305983
C   -1.6853385252   0.6125375224  -1.3491292354
C   -1.6185315528   2.0407820281  -1.0873816778
C   -1.5638955491   2.3351983778   0.2216474058
H    2.7775575671  -2.2847748371  -1.4429404235
H    2.1494410841  -3.3145549122  -0.1803395508
H    0.4021119486  -2.4059566838  -1.6984459968
H    0.7927463992  -0.7816647754  -1.2050637501
H    3.8990571064  -1.9489562883   0.6956688866
H    2.4257141698  -1.4840907290   1.4837006104
H    0.1715990302  -1.4571871392   1.1986878929
H   -0.2648982126  -3.0309139720   0.5817690840
H    3.3576151444   0.0538384811  -0.9669754335
H    4.1789199095   0.3175834347   0.5468725495
H   -2.2951741699  -1.7992040961   0.8030911619
H   -1.9888886450  -1.9424108014  -0.9122641725
H    2.4214290173   1.9935938626   0.0668251518
H    1.1876788909   0.7676781515   0.1493538494
H    1.7801993738   0.3335908790   2.5647033822
H    3.0437671064   1.5554039425   2.4540344262
H    1.3509342287   2.0128558205   2.2912335125
H   -1.6070192552   2.7719898124  -1.8811203033
H   -1.5125488913   3.3122208766   0.6793955954
*