! 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  -0.0344786422   1.1448661351  -1.8000972314
Cl   4.4398957004  -1.1289144567  -0.0618434416
O   -2.2611508327  -0.4342490268  -0.8935259484
O   -2.0979204920  -2.0053605532   0.6873200117
N   -1.4255403044   1.5414658173   1.2048546162
N   -2.0851827535   2.4611738157   0.4969526368
N   -0.0964090723   3.2601040333   1.1651558355
C   -1.5903621289  -0.7641453537   0.2868736664
C   -1.9414426561   0.2153106820   1.4144081127
C   -0.0731004872  -0.8448592105   0.0946187709
C   -2.8412313717  -1.6142753230  -1.4416129103
C   -2.3563428589  -2.7158636887  -0.5146025008
C    0.6764858261  -0.0425124045  -0.7644164413
C    0.6324115916  -1.7297271529   0.9093603332
C    2.0620488184  -0.1314676914  -0.8199348630
C    2.0106524874  -1.8365389204   0.8758497332
C   -0.2434462788   2.0294043974   1.5859406294
C    2.7166088513  -1.0285891397   0.0019357802
C   -1.2511127846   3.4661098955   0.5037915777
H   -1.5295701904  -0.1612473125   2.3507122447
H   -3.0238598440   0.2757382556   1.5236834450
H   -2.5118390974  -1.7564366165  -2.4713846947
H   -3.9293035370  -1.5195465128  -1.4310861725
H   -3.1031775595  -3.4823795998  -0.3172700525
H   -1.4471718602  -3.1974191091  -0.8885893945
H    0.0926971550  -2.3622118791   1.6002397526
H    2.6178688955   0.5019389571  -1.4967957106
H    2.5180955117  -2.5369687761   1.5237917173
H    0.4576805527   1.4677608927   2.1832590347
H   -1.4870443962   4.3965827785   0.0123953289
*
