! 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   -3.3085578834   0.0395267542   1.0130561742
O   -2.4838100947   0.7433739605  -2.5922675604
N   -2.5080629879  -0.1188067652  -0.4698272993
C    2.4002136471  -0.5517765272   0.4808496773
C    1.1489299664  -1.1733877674  -0.1252667143
C    3.6292230457  -1.4424836999   0.3420305742
C   -0.0738270285  -0.2744253511  -0.0029928772
C    4.8710882806  -0.9114349908   1.0516405199
C   -1.3155539619  -0.9425309765  -0.5707827714
C    5.4041533999   0.4022752553   0.4924390987
C    6.6978122086   0.8382051184   1.1638105950
C   -2.9774489134   0.6959414675  -1.4663490232
C   -4.1128881558   1.4468389820  -0.9578743401
C   -4.3767878424   1.1914259276   0.3340252818
H    2.2226926774  -0.3438191962   1.5418529256
H    2.5822959699   0.4176069516   0.0072004162
H    0.9461231468  -2.1316638014   0.3646038458
H    1.3288070192  -1.4020103659  -1.1810192858
H    3.8529105684  -1.5894284934  -0.7202358203
H    3.3931771027  -2.4344084588   0.7399696155
H    0.1023780026   0.6690351227  -0.5271927884
H   -0.2392624029  -0.0245714717   1.0497123316
H    5.6620010501  -1.6659195236   0.9915148190
H    4.6535140675  -0.7885986757   2.1185191367
H   -1.5077877904  -1.8919510968  -0.0674823459
H   -1.1808482088  -1.1732055906  -1.6271837212
H    5.5684016736   0.2959549743  -0.5846210544
H    4.6563209590   1.1912431198   0.6084389410
H    7.0640592095   1.7820370691   0.7576831155
H    6.5601194773   0.9757355357   2.2382031972
H    7.4854939620   0.0944950990   1.0280871806
H   -4.6676397095   2.1408603715  -1.5706974920
H   -5.1576674859   1.6170909584   0.9469012749
*