! 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  -0.9848614841  -1.4929400126   2.4569050199
Cl  -4.2239611929   1.1584492209  -0.8939647005
O    0.6853749437  -2.9792820288  -0.8599753131
N    1.5943856336  -2.2933652588  -0.1110431987
N    3.5224344695   2.2209495749  -1.1969191240
C    2.0565977621  -0.3242880867   1.1498214266
C    1.1444679590  -1.1864465154   0.3255108776
C   -0.2036951891  -0.6575221537   0.0143883844
C    2.2945240129   0.9909772753   0.4598758234
C   -1.2399235485  -0.7096662560   0.9364969081
C   -0.4447625449  -0.0372018467  -1.2071024840
C    1.5103699938   2.1084412189   0.7139931090
C    3.2803255569   1.1098598434  -0.5125124375
C   -2.4832604804  -0.1569128152   0.6740088904
C   -1.6753071959   0.5235611377  -1.4993905621
C   -2.6825179798   0.4579459747  -0.5501576159
C    1.7475358206   3.2746244827   0.0047296001
C    2.7629748967   3.2801945066  -0.9367882160
C    1.2697315403  -4.1617852760  -1.3760679153
H    1.6083792082  -0.1492816460   2.1310201814
H    2.9963629687  -0.8531928452   1.3120470958
H    0.3479519768   0.0196854079  -1.9408717892
H    0.7268743647   2.0710764831   1.4609943229
H    3.9122881299   0.2580913411  -0.7422282636
H   -3.2755532228  -0.2085238622   1.4073059167
H   -1.8413637243   1.0055408295  -2.4520357456
H    1.1587003014   4.1644510795   0.1773223354
H    2.9709421534   4.1773381964  -1.5074496448
H    2.1134700961  -3.9449184689  -2.0337871505
H    0.4912586079  -4.6540111167  -1.9547775739
H    1.5979831126  -4.8348337312  -0.5814452274
*
