! 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   6.7329251821  -0.3893034526   0.0472232161
O   -1.6224964639   0.2187731671  -1.6901540263
N   -3.4200531878   1.5394447653   0.2784764419
N   -4.0743978071   1.4553788614  -0.8850260578
N   -5.5264288482   1.5409347325   0.8173584287
C   -1.4654467416   0.1280601374  -0.2953927342
C   -2.1125303203  -1.0950287246   0.4135669166
C    0.0246020958  -0.0541968271   0.0188573687
C   -1.3564213042  -1.0921090016   1.7593355855
C    0.0396469397  -0.4917534421   1.4848142530
C   -2.0134083701  -2.4589345555  -0.3043283302
C   -1.9788740721   1.4383974247   0.3411977337
C    0.9192602162   1.1442412400  -0.2998236169
C   -2.7114509777  -3.5319358827   0.5353891826
C   -2.6462781723  -2.4886208905  -1.6977227506
C    2.3757037871   0.7862277197  -0.2107436269
C   -4.2968994770   1.5755856568   1.2783109130
C    3.1355715744   1.1014239402   0.9115040803
C    2.9948229530   0.0942977676  -1.2502884734
C    4.4739028110   0.7432926812   1.0016610908
C    4.3297927729  -0.2719251291  -1.1809906352
C   -5.3296351304   1.4624555818  -0.5090085899
C    5.0599845512   0.0579287633  -0.0493604478
H   -3.1833593536  -0.9239018894   0.5796941522
H    0.3588556647  -0.8913675464  -0.6056383379
H   -1.2816432391  -2.0888603702   2.1897854488
H   -1.8927757626  -0.4937645860   2.4983056369
H    0.2300980939   0.3627842487   2.1389498832
H    0.8371671758  -1.2076078889   1.6810731844
H   -0.9575891445  -2.7403991060  -0.3970697331
H   -1.5488187288   2.2946082383  -0.1800989279
H   -1.7057769451   1.5292664156   1.3913045491
H    0.7086585772   1.9669995652   0.3883115921
H    0.6992279528   1.5074413757  -1.3069267714
H   -2.5478760161   0.4275702562  -1.8816875502
H   -3.7812814256  -3.3214539885   0.6176507040
H   -2.6083374375  -4.5113329665   0.0652484298
H   -2.3174788804  -3.6236759836   1.5470049251
H   -3.6339785265  -2.0196824054  -1.6915890968
H   -2.7862102853  -3.5212514924  -2.0235744151
H   -2.0452693201  -1.9907197555  -2.4518663016
H   -4.0021038395   1.6370423782   2.3140126926
H    2.6838656294   1.6430922320   1.7336339289
H    2.4277444082  -0.1622287925  -2.1374614414
H    5.0487645284   1.0015757154   1.8807733371
H    4.7929260686  -0.8039567389  -2.0011244180
H   -6.1343337177   1.4123412953  -1.2257528357
*