! 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   -2.2862976862   0.5385674253   1.1077093691
O   -1.7323286218   0.2134266510  -2.6036377808
N   -2.0415548282  -0.2414807803  -0.3763931536
C    2.0660163864  -1.7142216498   0.3907256338
C    0.7737362859  -1.3248471534  -0.3160847580
C    3.3225975210  -1.1171525980  -0.2367219790
C   -0.4399968551  -2.0254324424   0.2763627109
C    3.3509778105   0.4090514927  -0.3070707953
C   -1.7526017763  -1.6659140660  -0.4029929080
C    3.1611953350   1.1212586221   1.0294840068
C    4.2167502994   0.7699376831   2.0679638037
C   -1.9486508584   0.5987235408  -1.4565101900
C   -2.1574210430   1.9643502819  -1.0043501066
C   -2.3390755941   2.0586597204   0.3221273580
H    2.1610343627  -2.8044700029   0.3879637845
H    1.9994762491  -1.4258804193   1.4452483427
H    0.8486258677  -1.5625296143  -1.3825347749
H    0.6362659538  -0.2409874145  -0.2541203527
H    3.4358703798  -1.5127773481  -1.2508343887
H    4.1952327720  -1.4746480251   0.3172850514
H   -0.5044052003  -1.8144419604   1.3488583682
H   -0.3236793364  -3.1091985378   0.1919779033
H    2.5874270264   0.7591769521  -1.0076337025
H    4.3088337407   0.7174250020  -0.7379241505
H   -2.5818240922  -2.2048798515   0.0580514314
H   -1.7322301583  -1.9545011196  -1.4528888724
H    3.1794159095   2.1998709162   0.8521902978
H    2.1667868434   0.9061836033   1.4322782103
H    5.2230861385   0.9567649860   1.6869067242
H    4.0935863686   1.3655588296   2.9735372173
H    4.1686985568  -0.2792932787   2.3640154107
H   -2.1529200672   2.8031285420  -1.6833769698
H   -2.5122991119   2.9510162204   0.9052579396
*