! 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  -2.0664223721   1.2118959185   2.9795614759
Cl   3.9767191033   0.6937963815  -3.6152070988
Cl  -2.8705967963   4.9032053375  -0.8331358794
S    0.6328614429  -2.3559463020   1.6343792082
N   -1.8969411873  -2.7933358181   0.2772642048
N    0.0381913088   0.1435457038   1.0968106004
N   -1.4853999108  -3.0994140114  -0.9552430815
N   -2.0553966324  -4.9552485332   0.1741293575
C   -1.8172249277  -1.4519102074   0.7815675073
C    2.2427768461  -1.5199888600   1.6994837650
C   -0.4044366020  -1.0389945514   1.1303357914
C    2.6842731879  -0.9807348941   0.3700229128
C    3.0773636458   0.3472465864   0.2518622834
C    2.7093297768  -1.7868902674  -0.7632924338
C   -0.7071854840   1.2237590320   0.6434393576
C    3.4839743975   0.8698572978  -0.9664994677
C    3.1081323151  -1.2813074086  -1.9906990375
C   -2.2193934988  -3.9065812808   0.9386751248
C   -1.6825752083   1.8504555513   1.4195948616
C   -0.4124744953   1.7777286967  -0.6022926395
C    3.4884701611   0.0486135131  -2.0816407131
C   -2.3495737818   2.9819730127   0.9775625909
C   -1.0750292489   2.8984009023  -1.0676447749
C   -2.0400791720   3.4941400401  -0.2699753486
C   -1.6055595341  -4.3996480392  -0.9672217058
H   -2.4376693977  -1.3883605371   1.6765073479
H   -2.2379177437  -0.7676681796   0.0452658990
H    2.9220211282  -2.2974554786   2.0552285460
H    2.2173894404  -0.7390781981   2.4574831122
H    3.0585916118   0.9948035955   1.1186836392
H    2.4015760741  -2.8231565311  -0.7011836550
H    3.7803437507   1.9071254385  -1.0409706106
H    3.1180295453  -1.9194701316  -2.8636510015
H   -2.5738479995  -3.8986227112   1.9575878891
H    0.3551216353   1.3156410190  -1.2091973946
H   -3.1010260125   3.4480443369   1.5996239190
H   -0.8339702392   3.3018893971  -2.0409688164
H   -1.3624604264  -4.9781778597  -1.8442884654
*