! 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   -1.3753576035   0.6122651920   1.1528977890
O   -2.0885011771   0.1029997572  -2.5102967717
N   -1.7907880873  -0.2273839460  -0.2595805445
C    1.9802474125  -2.0897631569  -0.2684096969
C    0.5829716250  -2.0441542209  -0.8837865111
C    2.2876012531  -0.9400551400   0.6924927996
C   -0.5330657590  -2.3248657605   0.1219346510
C    2.3291265196   0.4320133397   0.0273813939
C   -1.8641317632  -1.6803676694  -0.2363154240
C    2.5228861276   1.5884400387   1.0036733879
C    3.8423100631   1.5511218673   1.7617083817
C   -1.8335653416   0.5461764114  -1.3924251184
C   -1.5429617241   1.9233946240  -1.0294586752
C   -1.2781053093   2.0795186374   0.2773775787
H    2.7241127220  -2.0873191159  -1.0709186701
H    2.1096379714  -3.0405613942   0.2580576015
H    0.5180037407  -2.7707705698  -1.6972090360
H    0.4366143578  -1.0694682878  -1.3553281447
H    3.2493140169  -1.1439151374   1.1710081823
H    1.5513004609  -0.9201500538   1.5035534025
H   -0.2413500000  -1.9987880346   1.1245717995
H   -0.6993130671  -3.4011183015   0.2052964184
H    1.4002296263   0.6064143167  -0.5239585596
H    3.1304432802   0.4481212624  -0.7200619814
H   -2.6399970549  -1.9860072183   0.4674145588
H   -2.1949123223  -1.9885424055  -1.2272499713
H    2.4552736734   2.5296093958   0.4513425570
H    1.6917528785   1.5976344909   1.7160827969
H    3.9619712042   2.4358694091   2.3885558051
H    3.9161713897   0.6813649083   2.4157488598
H    4.6913610295   1.5190857281   1.0755107747
H   -1.5361493146   2.7209837856  -1.7563747598
H   -1.0357763704   2.9926602311   0.8005615092
*