! 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   1.6460567887  -0.6208399478   2.8222290289
Cl  -7.3241882594  -1.7812816441  -2.5601528464
O    3.2034190584  -0.3769994089   0.3579221891
O    2.5329701662   0.9710239817  -1.3130761675
O   -3.0729008590  -0.4642760074   1.2481795623
N    4.1552938416   2.2986738899   0.5860996767
N    5.1388278955   1.7991972331   1.3396987325
N    5.9838563123   2.9281739932  -0.4071191330
C    2.3668407176   0.7019839412   0.0530155727
C    3.9480464714  -0.7509816281  -0.7982524921
C    2.7745818704   1.9700112145   0.8169733184
C    3.0962459583  -0.1819304631  -1.9150549651
C    0.9168583113   0.3595417507   0.3741098772
C    4.1363324320  -2.2462762029  -0.8404320614
C    0.5145623028  -0.2344874899   1.5694722343
C   -0.0865854754   0.6896786129  -0.5320213954
C   -0.8133594688  -0.5295867163   1.8289624512
C   -1.4244112673   0.4260897214  -0.2906692005
C   -1.7822885823  -0.1994819100   0.8939610102
C    4.6748835976   2.9541664176  -0.4537263896
C    6.2080647162   2.2053200523   0.7073977479
C   -4.0193527692  -0.7592848791   0.3009730710
C   -3.7638094589  -1.6057018568  -0.7696718802
C   -5.2866168931  -0.2305503435   0.4956705485
C   -4.7840989201  -1.9143253083  -1.6553076628
C   -6.3103909597  -0.5503065352  -0.3816450375
C   -6.0500122537  -1.3861825163  -1.4556396341
H    4.9288072542  -0.2583154024  -0.7809671306
H    2.6240057750   1.8491010368   1.8870320269
H    2.1551564245   2.8041550990   0.4886217246
H    3.6704819229   0.1210024663  -2.7890097960
H    2.3166023822  -0.8861152416  -2.2291753642
H    3.1789384557  -2.7681108879  -0.8606495497
H    4.7050427587  -2.5974047897   0.0204189964
H    4.6947071078  -2.5212221053  -1.7356224765
H    0.1767901627   1.1773212201  -1.4596402930
H   -1.0995731786  -1.0046528987   2.7578126130
H   -2.1656543607   0.7172296205  -1.0226632714
H    4.0722779673   3.4487662736  -1.1981921731
H    7.1976625803   1.9788116811   1.0718770816
H   -2.7828001914  -2.0357185686  -0.9239636041
H   -5.4791535978   0.4230847937   1.3362008180
H   -4.5858276230  -2.5717692429  -2.4903423197
H   -7.2991453246  -0.1418129390  -0.2250856996
*