! 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    2.3551623530   0.7562912676   1.8181492676
S    2.2806841081  -0.6548224481  -0.7229633889
O    2.4711020681   2.1586713897   2.1641572584
O    1.0664022942   0.1018189378   1.9131798588
O    2.2812836768  -1.8747427577   0.0487955866
O    3.0103108657  -0.5778713241  -1.9625634012
O    1.0183434785   1.6693761828  -2.0186330234
O   -5.4899838814   0.7519382090  -0.3117091732
O   -2.5164469805  -2.5937315134   0.9217043273
N    2.8398929881   0.6215784140   0.2032993652
N    0.6877003996  -0.3247572815  -0.9749173106
N   -1.0864522514   1.0944851117  -1.4431455076
N   -3.2857226081   0.9251832264  -0.8899574535
N   -1.7828604117  -0.7809810287  -0.2616591273
C    3.9818084381   1.4073461289  -0.2831049143
C    3.5679934983  -0.1594708222   2.7169740978
C    0.2641266282   0.8665195359  -1.5126562267
C   -2.0908638565   0.3695770962  -0.8339250587
C   -4.2661533492   0.2529222816  -0.3021592315
C   -2.7752643936  -1.4424349331   0.3264492115
C   -4.0742000778  -0.9662368848   0.3375755394
C   -5.7220774719   2.0082635812  -0.9464393524
C   -1.1753987636  -3.0807171588   0.9294885612
H    3.7511180071   1.8399434277  -1.2513537769
H    4.8888287390   0.8107509220  -0.3421598574
H    4.1504874525   2.2302350725   0.4043905115
H    4.5502808524   0.2782914474   2.5517861959
H    3.3127991291  -0.0957693988   3.7742408030
H    3.5538277697  -1.1967885805   2.3935766572
H   -1.3799526904   1.9674558531  -1.8615616688
H   -4.8813336791  -1.5023747590   0.8144237536
H   -6.7813206162   2.2096342539  -0.8147822292
H   -5.1452497944   2.8068869435  -0.4815553645
H   -5.4940007061   1.9701139622  -2.0109116959
H   -0.8070501444  -3.2618164182  -0.0804276025
H   -0.5045495003  -2.4013474229   1.4562778469
H   -1.2092840319  -4.0254869024   1.4644430358
H   -0.0188923976  -0.8891671036  -0.4750638631
*