! 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   -2.1594748116   0.3029092638   1.0764849574
O   -0.9834369364   0.3251930190  -2.5022073108
N   -1.8534639352  -0.3060724345  -0.4745853883
C    1.1390240775  -1.2083107787   0.4419619057
C    0.4848992936  -2.3726770191  -0.2959922175
C    2.6349952414  -1.1130078314   0.1674136334
C   -0.9910134115  -2.6085115240   0.0231915869
C    3.3181547136   0.0643429387   0.8569184515
C   -1.9843372460  -1.7316732228  -0.7263175322
C    2.8745403473   1.4312367676   0.3464624579
C    3.6534847397   2.5737698486   0.9800581182
C   -1.3015475159   0.5979342339  -1.3462154528
C   -1.1779728976   1.8801821118  -0.6726282088
C   -1.5869523174   1.8452783386   0.6057760121
H    0.9769300491  -1.3253962091   1.5188207133
H    0.6641143558  -0.2652696975   0.1683983975
H    1.0340386392  -3.2842991061  -0.0424595336
H    0.6086790413  -2.2415029114  -1.3762029547
H    2.8024421749  -1.0425702716  -0.9132116228
H    3.1142389097  -2.0437826082   0.4868598528
H   -1.1575707828  -2.5320711062   1.1025494529
H   -1.2548072556  -3.6353558391  -0.2413067001
H    4.4006284498  -0.0256718603   0.7214117366
H    3.1441155325   0.0059722746   1.9371237527
H   -3.0040379807  -2.0358746594  -0.4838655836
H   -1.8675841988  -1.8633177279  -1.8010986662
H    2.9955747913   1.4649276572  -0.7410383370
H    1.8071540121   1.5770938808   0.5351066846
H    4.7219941500   2.4890889022   0.7723845552
H    3.3220486414   3.5425101676   0.6037092753
H    3.5310758899   2.5843648372   2.0649196729
H   -0.7826211799   2.7550732508  -1.1654785822
H   -1.5993444031   2.6563505711   1.3188769734
*