! 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   -0.8507762761  -1.2030402592  -0.0001814416
O    4.0963632812  -0.7416004731  -0.0010061186
N   -0.9980339611   1.3210911867   0.0002086475
N    1.8213558756  -0.8067611001   0.0010681625
N    0.3219396520   1.0439416655   0.0006909578
N    2.9802727515   1.2251445449  -0.0006343004
C   -3.2568479384   0.2895056945  -0.0005736509
C   -1.7546662990   0.2824031771  -0.0001079988
C   -3.7645596140   1.7294995564  -0.0004790049
C   -3.7632355104  -0.4335748924   1.2522513343
C   -3.7626701804  -0.4335451874  -1.2536618079
C    0.5825370791  -0.2284919401   0.0007677010
C    1.8610564469  -2.2631837514   0.0009960526
C    3.0495527562  -0.1061375432  -0.0001352109
C    4.1467201648   2.0749631791  -0.0006651834
H   -4.8551053217   1.7249902753   0.0003029936
H   -3.4336713159   2.2770866274   0.8816407661
H   -3.4348776046   2.2772051071  -0.8829974758
H   -3.3909213658   0.0379401996   2.1625798664
H   -4.8532992220  -0.4055889304   1.2806590585
H   -3.4650915790  -1.4835107066   1.2697188815
H   -3.3916081110   0.0393281825  -2.1637799134
H   -3.4628750649  -1.4830547753  -1.2722696192
H   -4.8527846533  -0.4070443626  -1.2814159093
H    1.3774662897  -2.6654958376  -0.8897202394
H    1.3777822073  -2.6659148088   0.8917608567
H    2.8899601676  -2.5983227863   0.0008366652
H    2.0655196143   1.6640969329   0.0004290905
H    4.1546662945   2.7130899149   0.8823790738
H    4.1537897418   2.7147426827  -0.8825198110
H    5.0558884828   1.4831410124  -0.0017896125
*