! 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  -2.6945257457  -0.4268623430  -2.7369939130
Cl   4.3919126286   2.3286352280   2.0030859811
Cl  -2.7512500192   4.7799093769  -1.4305664537
S    0.4547396173  -2.9416312440  -0.2810371999
N   -1.7710276537  -2.4113759037   1.5480840981
N   -0.1798401773  -0.5145785092  -1.0377406864
N   -1.1532802768  -1.8947878374   2.6123967743
N   -1.6595627561  -4.0540422361   2.9614005436
C   -1.8944200122  -1.6645335680   0.3279592342
C    1.9995235195  -2.3045638794  -0.9905049765
C   -0.5700656977  -1.5256744832  -0.3905202697
C    2.5856960901  -1.1515635143  -0.2288220494
C    2.7964153013  -1.2224425259   1.1443522543
C    2.9447208592   0.0125150098  -0.8987947499
C   -0.8616072216   0.6920285427  -1.0953332791
C    3.3519370239  -0.1581925201   1.8370459440
C    3.5058462411   1.0858582960  -0.2236471472
C   -2.0510104382  -3.6986410410   1.7645524211
C   -2.0004857111   0.8996635362  -1.8729205504
C   -0.3223150708   1.7908427023  -0.4248524123
C    3.7010953480   0.9907090604   1.1442065583
C   -2.5875041727   2.1509386049  -1.9835265473
C   -0.8991768246   3.0431719399  -0.5106053234
C   -2.0293511622   3.2138017921  -1.2961976774
C   -1.1185798571  -2.9125233216   3.4301826783
H   -2.3126790243  -0.6826952235   0.5475803650
H   -2.6002325071  -2.1857960566  -0.3199304275
H    1.8401616732  -2.0483369468  -2.0363326822
H    2.6667998611  -3.1684817291  -0.9650667037
H    2.5165502205  -2.1131115017   1.6925983658
H    2.7783133332   0.0926439486  -1.9651496925
H    3.5087189647  -0.2265894854   2.9048146332
H    3.7743725776   1.9855875116  -0.7601097204
H   -2.5426198201  -4.3226779136   1.0346682284
H    0.5723003684   1.6462542442   0.1668278165
H   -3.4682225617   2.2869129641  -2.5955681291
H   -0.4654300653   3.8761030687   0.0246861590
H   -0.6877304100  -2.8293324147   4.4151898350
*