! 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   0.3818106286   1.9278833562   1.9047452750
Cl   4.7557007762   1.9250779406   0.9553742385
Cl  -0.8500746019   4.3768362852  -2.7028034873
S   -0.6306587891  -2.3952169179  -0.5797220667
N   -2.2984675122  -3.5592109105   1.4749834656
N   -1.4081162359  -0.2043726021   0.9610433127
N   -3.5061462824  -3.5252403767   0.9047048074
N   -2.6855733789  -5.6150418334   0.8962394389
C   -1.6483016170  -2.3555823254   1.9190664760
C    0.4065502468  -1.3270547111  -1.6142074874
C   -1.2657778068  -1.4452664730   0.7703287636
C    1.4675467118  -0.5268039564  -0.9166018394
C    2.1287082333  -0.9793055600   0.2195897130
C    1.8427790523   0.6954884358  -1.4649848079
C   -1.2230027292   0.8165475067   0.0471794772
C    3.1440726012  -0.2334871123   0.7972089691
C    2.8536779077   1.4545754999  -0.8992295858
C   -1.8209551626  -4.8049178405   1.4519322336
C   -0.4643211524   1.9330214964   0.4057532593
C   -1.8899076315   0.8478941391  -1.1762302276
C    3.4966780987   0.9803173584   0.2318870653
C   -0.3422745671   3.0272449000  -0.4301244168
C   -1.7836313577   1.9354711433  -2.0263955077
C   -1.0047830294   3.0158538497  -1.6463912399
C   -3.6925324787  -4.7768915932   0.5810044537
H   -0.7491006194  -2.6412762225   2.4657282046
H   -2.3005683644  -1.8151289608   2.6008818763
H   -0.2122194471  -0.6927530650  -2.2454164342
H    0.8731139591  -2.0601531304  -2.2783428136
H    1.8560482537  -1.9253382237   0.6700486187
H    1.3351720047   1.0707994256  -2.3450774105
H    3.6473905904  -0.5970307917   1.6824127207
H    3.1272292520   2.4066922066  -1.3327475179
H   -0.8552254445  -5.0689142515   1.8531117189
H   -2.5156099791   0.0114235928  -1.4611504365
H    0.2700452678   3.8690180751  -0.1389764986
H   -2.3060680632   1.9337508713  -2.9726297251
H   -4.5988250014  -5.1050574227   0.0972259747
*