! 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   0.8778577992   1.7753545965   0.8174500570
Cl   5.2152002128   2.1834226644   0.4300698017
Cl  -3.5779465359   4.4374805221  -0.5780920998
S    0.4528598784  -2.9352874116   0.1355333800
N   -2.4971137281  -2.7844694055   1.0279113138
N   -0.3906923848  -0.5257860095  -0.5039300009
N   -3.2756046180  -2.7942866807  -0.0565394551
N   -3.3796755763  -4.7666340337   1.0088038251
C   -1.6406189596  -1.6630139487   1.3136720596
C    1.6602420635  -2.4137287675  -1.1105633078
C   -0.5795433279  -1.5248117064   0.2438671287
C    2.5317590746  -1.2632240771  -0.6979773836
C    3.1656526693  -1.2338508806   0.5388795088
C    2.7487234039  -0.2131001952  -1.5818850357
C   -1.1872636329   0.6121558827  -0.4582126976
C    3.9924999231  -0.1792427005   0.8926792914
C    3.5797124654   0.8449722882  -1.2504205377
C   -2.5597176123  -3.9656118158   1.6429693206
C   -0.6813070600   1.7949478847   0.0828801548
C   -2.4586359281   0.6409048188  -1.0265421470
C    4.1912999419   0.8541027906  -0.0086852069
C   -1.4088751944   2.9729733324   0.0543745081
C   -3.1994514073   1.8097005234  -1.0680397034
C   -2.6655495165   2.9681250082  -0.5283543062
C   -3.7861252579  -3.9968234129  -0.0179761809
H   -1.1707923676  -1.8318482485   2.2823956277
H   -2.2379410456  -0.7566236990   1.3917755829
H    1.1378111821  -2.1995551825  -2.0417777030
H    2.2581157314  -3.3121325229  -1.2793025274
H    3.0111799550  -2.0355095898   1.2502770691
H    2.2563939408  -0.2098134932  -2.5460226765
H    4.4745621883  -0.1683203291   1.8606506133
H    3.7318682368   1.6566459313  -1.9485553695
H   -2.0064529816  -4.1888795004   2.5413507225
H   -2.8679118969  -0.2678522581  -1.4469561032
H   -0.9991325296   3.8766690062   0.4837896590
H   -4.1829107291   1.8084191032  -1.5166697008
H   -4.4847630864  -4.3349690265  -0.7667865595
*