! 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
Cl  -1.5272956308  -0.3067483443   3.3784036408
Cl   3.3957241984   1.7206070723  -3.7925586468
Cl  -3.6772452626   3.6106713707   0.4055066010
S    1.7733896547  -2.8090776430   1.2090166377
N   -1.8161414415  -2.0605171175  -0.0875682368
N    0.4365574377  -0.5623139679   1.0882339466
N   -1.4603737220  -1.8700788366  -1.3601849395
N   -3.5050114416  -1.0263825219  -0.9738694626
C   -0.9079528688  -2.6548636660   0.8520157991
C    3.0814207846  -1.5520096203   1.2416859727
C    0.3407127830  -1.8180402913   1.0443321333
C    3.1681888910  -0.7457370071  -0.0216511573
C    3.1558956669   0.6430742486   0.0363151136
C    3.2682951209  -1.3597494381  -1.2653156999
C   -0.5922640281   0.3507951509   0.9269183711
C    3.2345387839   1.4103937324  -1.1155673565
C    3.3411658105  -0.6098481715  -2.4286944505
C   -3.0277173428  -1.5442407008   0.1286100715
C   -1.5294830220   0.6286865852   1.9227704153
C   -0.6282871522   1.1288839775  -0.2312419883
C    3.3191183198   0.7732247086  -2.3423259167
C   -2.4776918853   1.6278603434   1.7753996073
C   -1.5754130011   2.1196874176  -0.4046037476
C   -2.4938685305   2.3636647208   0.6044309102
C   -2.5008539240  -1.2455183512  -1.8449070049
H   -0.6486931384  -3.6585177782   0.5148223157
H   -1.4196344359  -2.7650281637   1.8086077137
H    3.9932568763  -2.1305865366   1.4035235269
H    2.9444876381  -0.9125356701   2.1121682262
H    3.0710003897   1.1414715204   0.9930693538
H    3.2770432378  -2.4399710227  -1.3405456283
H    3.2167324936   2.4897434246  -1.0522241334
H    3.4133710547  -1.1019459250  -3.3889303221
H   -3.5240987201  -1.5902586019   1.0853986902
H    0.1057086830   0.9427681804  -1.0037221636
H   -3.1938275257   1.8187198100   2.5626057061
H   -1.5878999510   2.6990649590  -1.3172298316
H   -2.5436540653  -0.9415209516  -2.8788412329
*