! 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  -0.0610627474  -2.3536765521  -2.0088842811
Cl  -4.5638084201  -1.8022163699   0.8406546621
O    3.2824344375  -0.3600351839   0.6840661362
N    2.0151625004  -0.8135081923   0.8846383213
N    0.0638784780   3.8054395232  -0.2257133252
C    1.5297269180   0.4749619860  -1.1760283553
C    1.2004414759  -0.4309664556  -0.0165167097
C   -0.2130110471  -0.8086252160   0.2029139355
C    1.4538966949   1.9079615385  -0.7175709945
C   -0.8995140890  -1.6456623333  -0.6724181991
C   -0.9105649374  -0.2972240623   1.2933948341
C    2.5774182687   2.6243326951  -0.3237072021
C    0.2253271959   2.5577175200  -0.6475595519
C   -2.2348917550  -1.9614670633  -0.4896041028
C   -2.2465824741  -0.5954095971   1.5034525823
C   -2.8958005447  -1.4230788498   0.6028448362
C    2.4239421852   3.9309220501   0.1114691306
C    1.1502629724   4.4734499545   0.1482635511
C    4.1398536268  -0.8248980579   1.7107954093
H    2.5177844083   0.2535449032  -1.5786537938
H    0.8119128532   0.3142380131  -1.9801527293
H   -0.3996993709   0.3575834812   1.9864140099
H    3.5596612499   2.1727835054  -0.3661329660
H   -0.6758909369   2.0412220517  -0.9627828795
H   -2.7451329586  -2.6187056800  -1.1794488680
H   -2.7695756505  -0.1824670636   2.3542774851
H    3.2767503115   4.5213858260   0.4166044042
H    1.0001497006   5.4919488714   0.4857336389
H    3.8236016442  -0.4703538255   2.6936990296
H    5.1242363888  -0.4176701715   1.4895210687
H    4.2033807958  -1.9146777237   1.7249466398
*
