! 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  -6.1844307244  -0.3510563869   0.7746441389
S    1.8186718792  -0.6295953762  -1.4297194159
O    1.6185572024   1.3439782724   1.1528453162
O    1.9885222312   0.7701055016  -1.7796257025
O    1.9168931513  -1.6414642558  -2.4608657266
O    3.5858502552   2.3060207935   0.6846014504
O    0.3840252572  -2.8388063516  -0.0641948560
O   -2.7250017059   2.3937463872  -1.5632055067
N    0.3015548114  -0.6781306914  -0.7490492949
N   -1.5679729671  -1.7245223773   0.1484397876
N   -2.1220519965   0.3638644576  -0.7129155739
N   -3.7057471171  -0.9872917288   0.3963635097
C    2.9634852132  -1.0397956860  -0.1427437606
C    3.4215589690  -0.0639180859   0.7429942361
C    3.5015719479  -2.3181401090  -0.1418222426
C    4.4369049461  -0.3954397651   1.6295320330
C    4.4950577269  -2.6391524000   0.7692622562
C    4.9638239557  -1.6784670617   1.6498781435
C    2.8911286632   1.3310105967   0.8216303257
C   -0.2460667108  -1.8157218787  -0.2264955616
C    0.9760423971   2.6221724718   1.3310257778
C   -2.4952742601  -0.7334569906  -0.0684725666
C   -0.3867953765   2.3753695261   1.9223265562
C   -3.0426649884   1.2900696886  -0.9228491932
C   -4.3582393461   1.1348098056  -0.4826656544
C   -4.6027516846  -0.0445376661   0.1768031429
C   -1.3902533627   2.5570896526  -2.0434514878
H    3.1643683665  -3.0633050469  -0.8466280991
H    4.8119511379   0.3496244943   2.3181503325
H   -0.3126260675   0.1312430242  -0.8980461972
H    4.9088126543  -3.6375587376   0.7759372575
H    5.7478378801  -1.9219161848   2.3533283508
H   -1.9262503537  -2.5552287067   0.6019293707
H    0.9138095371   3.1263361730   0.3643683281
H    1.5759684398   3.2452982729   1.9951482565
H   -1.0046445480   1.7419906101   1.2866858547
H   -0.3176640860   1.9089984154   2.9046180310
H   -0.8999196668   3.3290203315   2.0398125624
H   -5.1122510540   1.8880313907  -0.6510975924
H   -1.1125948606   1.7632448994  -2.7359336345
H   -0.6751293109   2.6039420149  -1.2214153771
H   -1.3803242888   3.5078658960  -2.5670942928
*