! 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   0.2502445519  -0.7471602106  -2.6290984180
Cl   4.4891126045  -1.6201553400   0.4777902086
O   -2.0893249820  -0.7593585174  -0.8097753537
O   -1.8969042419   0.0654760630   1.2511424956
N   -0.4084892271   2.3555340092   0.0821084450
N    0.8000478024   2.5840126493  -0.4421074366
N    0.6685854861   3.4383744866   1.6287450310
C   -1.2977194468   0.0674357134  -0.0108718004
C   -2.7971398234  -1.6825069889   0.0202246942
C   -2.4211453224  -1.2393934105   1.4377189145
C   -1.3608147206   1.4941451666  -0.5704791318
C    0.1486976673  -0.4206161791   0.0824546876
C   -4.2829443825  -1.6370303790  -0.2920579074
C   -4.9485323948  -0.2861748148  -0.0780807307
C    0.9074860540  -0.7811265401  -1.0281216607
C    0.7893701491  -0.4276007718   1.3179240098
C    2.2376961041  -1.1562710068  -0.9172079886
C    2.1167388066  -0.7939784257   1.4599248015
C   -0.4634181719   2.8565158553   1.3182671270
C    2.8298858805  -1.1594462990   0.3331067617
C    1.4016830081   3.2359863877   0.5168881939
H   -2.4238750012  -2.6925670860  -0.1705727681
H   -3.2715477616  -1.1775464044   2.1162017509
H   -1.6766031813  -1.9063679466   1.8830433639
H   -2.3662158953   1.8921724596  -0.4316853897
H   -1.1415464830   1.4991199277  -1.6350271198
H   -4.7642203211  -2.3931167862   0.3340180467
H   -4.4346029710  -1.9635127225  -1.3241694155
H   -4.8595724556   0.0633930943   0.9515539438
H   -4.5326871520   0.4817567750  -0.7305917174
H   -6.0138357553  -0.3539996415  -0.2992402877
H    0.2445359416  -0.1347646004   2.2041612023
H    2.8023569488  -1.4335829597  -1.7963285337
H    2.5802761027  -0.7888484951   2.4362852068
H   -1.3414453915   2.7943261580   1.9407155570
H    2.4148570286   3.5893236193   0.4070094325
*