! 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   1.7013126411  -1.4870410044   2.4405168128
Cl  -8.1488074571   0.6394598991  -0.9967251731
Cl   6.1280812836  -2.3372354492  -0.4687219983
S   -1.5595354369   1.0265921405   0.5463182182
N    2.2204340831   1.9729465824   0.6850954646
N    0.5780008358  -0.3472681467  -0.1204114663
N    2.3114694188   2.4860793765  -0.5442614680
N    4.3514686916   2.0455732429   0.2836682127
C    0.9427791740   1.6985811721   1.2785273417
C   -2.2767452362  -0.4083134902  -0.3106829901
C    0.1489431684   0.6676732276   0.5016372147
C   -3.7434320639  -0.1542074774  -0.4785897666
C   -4.2094887178   0.5629875910  -1.5765663389
C   -4.6589066397  -0.6114435029   0.4632143148
C    1.9066349874  -0.7529583024  -0.1572737969
C   -5.5622689194   0.8112695184  -1.7437133099
C   -6.0165699060  -0.3721283867   0.3115216326
C    3.4395162035   1.7064257799   1.1581084619
C    2.5390404105  -1.3547592722   0.9324289545
C    2.6164084913  -0.6811503703  -1.3557365618
C   -6.4551200453   0.3388589751  -0.7939747067
C    3.8311887695  -1.8475799576   0.8476749318
C    3.9107540857  -1.1541621749  -1.4579201836
C    4.5099812541  -1.7352001139  -0.3519677109
C    3.6036606200   2.5040227383  -0.7385263027
H    0.3787925990   2.6289023847   1.3561994897
H    1.0986168415   1.3419331382   2.2975107731
H   -2.0872014192  -1.3047107820   0.2780964046
H   -1.7793328338  -0.5161121103  -1.2732038981
H   -3.5110884736   0.9294182653  -2.3186016552
H   -4.3157572690  -1.1687660982   1.3257970061
H   -5.9118129459   1.3637681888  -2.6049090291
H   -6.7189969336  -0.7389259367   1.0471340789
H    3.6116295363   1.2949322117   2.1404016326
H    2.1392588256  -0.2415058926  -2.2206654435
H    4.2965187000  -2.3033404647   1.7105425180
H    4.4410492320  -1.0718226478  -2.3963301252
H    4.0293718866   2.8743711822  -1.6575842674
*