! 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  -2.3365020846  -1.4081750735  -2.5223561939
Cl   4.2773968627   2.7447828663   1.8803010169
Cl  -3.8481338547   3.4079965742  -0.6992999457
S    1.4976076716  -3.1424982276  -0.5165938092
N   -1.6634431839  -1.7832447176   1.2947518646
N    0.1511554346  -0.9256071502  -0.8663720751
N   -0.9984494106  -1.1688664934   2.2757229567
N   -3.1073955588  -0.4094482142   2.1517345715
C   -1.0036306699  -2.7215981055   0.4317413772
C    2.6918362402  -2.0656866467  -1.3584088708
C    0.1192121207  -2.0777839906  -0.3566712871
C    3.0964719474  -0.8712481606  -0.5448056207
C    3.5850405449  -1.0139779608   0.7492863603
C    2.9945024994   0.4069971949  -1.0811327412
C   -0.8422363644   0.0362580601  -0.7909614655
C    3.9532050020   0.0908838726   1.5004584131
C    3.3635796390   1.5240741690  -0.3477242030
C   -2.9107869411  -1.3128139531   1.2264773866
C   -2.0145033006  -0.0162404280  -1.5461567476
C   -0.6175582896   1.1802374084  -0.0235985170
C    3.8342492312   1.3545385652   0.9437131643
C   -2.9411591027   1.0132567876  -1.5289405856
C   -1.5358981178   2.2112306121   0.0193353545
C   -2.6936015892   2.1198937722  -0.7372569408
C   -1.9028415955  -0.3557824397   2.7533782651
H   -1.7385413349  -3.1371508482  -0.2584493148
H   -0.6258283988  -3.5529291782   1.0270715730
H    2.2889350024  -1.7701926387  -2.3256941232
H    3.5442285070  -2.7213346444  -1.5474598342
H    3.6723641235  -1.9981187020   1.1925073069
H    2.6118143898   0.5418523343  -2.0842255445
H    4.3263815116  -0.0358489828   2.5073953279
H    3.2714294762   2.5118016277  -0.7781362854
H   -3.6357629138  -1.6708861692   0.5126616278
H    0.2984425037   1.2507162455   0.5470684607
H   -3.8433843874   0.9427875658  -2.1202084323
H   -1.3427791746   3.0798867954   0.6330791215
H   -1.6895278587   0.3009284469   3.5815649098
*