! 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   1.0971893117  -1.9256740781  -0.9381809070
S   -2.9635566335   1.3103087526   0.2891268801
O    2.9799016484   0.7928702944  -0.0424921058
O   -1.1424975853   3.0723788674  -0.4069405343
O    1.3092862292   0.5512663572   1.4300633154
N   -0.5636699983   0.8477685676  -0.5311650036
C   -1.0870946114  -0.4079270410  -0.2362780721
C    0.8165808337   1.1389041353  -0.8418053299
C   -2.4068124251  -0.3365640285   0.2241576155
C   -1.4038559275   1.8998939043  -0.2704931260
C   -0.5101730520  -1.6711686553  -0.3480758894
C   -3.1402439587  -1.4521963148   0.5791140916
C    1.7154408313   0.7851166058   0.3199409043
C   -1.2340821628  -2.7983343244   0.0128254124
C   -2.5365092617  -2.6933751615   0.4746481449
C    3.9697390546   0.4444841145   0.9475352775
C    5.3262560888   0.5728831051   0.3059893004
H    1.1312153415   0.6518763144  -1.7616952971
H    0.8999168696   2.2116851747  -1.0244260117
H   -4.1574130482  -1.3578735679   0.9326493748
H   -0.7707919129  -3.7711001805  -0.0736356390
H   -3.0789484625  -3.5861355583   0.7505076255
H    3.8768552827   1.1089817606   1.8077351463
H    3.7889311963  -0.5785417261   1.2836476856
H    5.5256688646   1.5957876347  -0.0122564232
H    6.0874193785   0.2962729917   1.0347679834
H    5.4316575681  -0.0890208964  -0.5533185285
*