! 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   -1.2269702886   1.3729486811  -0.3612705543
O   -3.9432597379  -1.2174579107  -0.6217354241
N   -1.9647790277  -0.0849181717  -0.8055814403
C    1.6013258364  -0.9809034423  -0.0909779601
C    0.3598991029  -1.6216615438   0.5174716878
C    2.5859265582  -0.4855116984   0.9595896805
C   -0.6305859123  -2.1705899330  -0.5038832646
C    3.8204927950   0.1727243329   0.3583968001
C   -1.2137707591  -1.1436853572  -1.4639788910
C    4.8109910201   0.6670742967   1.4043875062
C    6.0393903986   1.3219154122   0.7917237959
C   -3.2669100395  -0.2131029182  -0.4032965725
C   -3.6676629786   1.0031523431   0.2818808512
C   -2.6789817763   1.9084802137   0.3671754364
H    1.3243195298  -0.1373229759  -0.7326170527
H    2.0977975429  -1.7031649291  -0.7479926249
H   -0.1376729346  -0.9041005861   1.1774798735
H    0.6701474799  -2.4467416451   1.1651269262
H    2.8921489682  -1.3235673228   1.5949551889
H    2.0794691109   0.2270657941   1.6198915188
H   -1.4491511869  -2.6756804548   0.0138166424
H   -0.1387621689  -2.9319448095  -1.1161636881
H    3.5118212467   1.0135597869  -0.2726036240
H    4.3227609703  -0.5368381630  -0.3082635879
H   -1.8925022315  -1.6313069790  -2.1633707259
H   -0.4365114189  -0.6803235119  -2.0720916635
H    4.3106359511   1.3773080041   2.0696451958
H    5.1205137734  -0.1720132352   2.0349050591
H    6.5788409797   0.6261449867   0.1460998929
H    5.7666225422   2.1872854802   0.1846054046
H    6.7358975703   1.6654077933   1.5577315821
H   -4.6624780589   1.1436446906   0.6756985222
H   -2.7140590121   2.8861603572   0.8246770598
*