! 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   1.7878547942  -0.1900584413   3.1957931556
Cl  -6.1405270610  -0.5377565572  -3.4923008120
Cl   5.1934315255  -2.9764565429   0.1294545356
S   -1.6860563880   1.8243296578   1.2307232842
N    2.0355758485   2.0476573161   0.0425842894
N    0.0905787738  -0.0617462597   0.7058995703
N    1.8496069985   1.9563549721  -1.2764457021
N    4.0013380144   1.5883467637  -0.7518082637
C    0.9351603322   2.2830652797   0.9318593339
C   -2.7314065642   0.3434458168   1.3753070623
C   -0.0942273072   1.1713163027   0.9050316944
C   -3.5747430063   0.1180523540   0.1583526749
C   -3.0013036031  -0.2592438585  -1.0541619691
C   -4.9527375196   0.2875402196   0.2209127810
C    1.3292293780  -0.6759449241   0.5714723027
C   -3.7827939306  -0.4632631871  -2.1785917071
C   -5.7517296441   0.0856404927  -0.8961098166
C    3.3161116894   1.8157860743   0.3390199753
C    2.1922095716  -0.8625330260   1.6535500825
C    1.6903590111  -1.2486500129  -0.6475273101
C   -5.1564146443  -0.2870959275  -2.0885053615
C    3.3773718475  -1.5686965828   1.5307416765
C    2.8748002659  -1.9452319091  -0.7950222487
C    3.7113493658  -2.1004108854   0.2985488207
C    3.0522791714   1.6763546956  -1.7042186780
H    0.4661584439   3.2334980614   0.6740034371
H    1.3211765382   2.3913262659   1.9462994143
H   -3.3514497436   0.4943326902   2.2580021478
H   -2.0681510133  -0.4990654769   1.5723964773
H   -1.9299384303  -0.3981672988  -1.1268163353
H   -5.4189259330   0.5809282395   1.1530313658
H   -3.3250107229  -0.7563612638  -3.1134022024
H   -6.8225363972   0.2205490957  -0.8297835989
H    3.7003359919   1.8481794353   1.3466091408
H    1.0260193125  -1.1392919952  -1.4937675241
H    4.0282690223  -1.6914760216   2.3851011569
H    3.1355191859  -2.3663782317  -1.7558619633
H    3.2586718282   1.5360845382  -2.7533301568
*