! 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   -0.9097221438   1.3485695286  -0.0625910277
O   -3.7804525548  -0.8880733982  -1.0200998126
N   -1.7085285510   0.0588775649  -0.8156526262
C    1.6423058788  -1.2744902538   0.1207134979
C    0.2949326088  -1.9025395062   0.4566987375
C    2.5061758892  -1.0532570985   1.3564552022
C   -0.5962921716  -2.1739175953  -0.7504172226
C    3.8515695682  -0.3921771881   1.0715825941
C   -0.9759966962  -0.9477245195  -1.5690272883
C    3.7516516927   1.0598160652   0.6174538917
C    5.1147484118   1.7041567532   0.4151196623
C   -3.0541732026  -0.0029957190  -0.5700535362
C   -3.4298957585   1.1243364981   0.2657097187
C   -2.3872071828   1.9023260493   0.5992656942
H    1.4966779498  -0.3206862827  -0.3948862019
H    2.1768497760  -1.9160674529  -0.5883150978
H   -0.2329499105  -1.2705013068   1.1778153771
H    0.4653771781  -2.8521051596   0.9720232934
H    2.6765502289  -2.0180256342   1.8438983079
H    1.9519930017  -0.4438302345   2.0790104343
H   -1.5088074742  -2.6786426902  -0.4249087852
H   -0.0907453136  -2.8643348473  -1.4316144931
H    4.3921013618  -0.9739183535   0.3166487120
H    4.4646966168  -0.4329161135   1.9774350680
H   -1.6032914823  -1.2419543300  -2.4101648118
H   -0.0958703730  -0.4725271446  -2.0028312088
H    3.1810379877   1.1264017982  -0.3127254767
H    3.1844841008   1.6290373113   1.3606493884
H    5.0247738372   2.7444187872   0.0993745146
H    5.7005929507   1.6900934012   1.3362993883
H    5.6927610913   1.1792456862  -0.3479870073
H   -4.4484677370   1.2980803383   0.5773494806
H   -2.3946263499   2.7944085854   1.2082098949
*