! 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   5.9135596882   1.7504156869  -0.4397725773
O   -2.3524950626  -0.9176725563  -1.5074794631
N   -2.5670749730   1.4641457431   0.1879041290
N   -1.8925438427   2.3860246082   0.8830484872
N   -2.6236048917   3.2531291253  -1.0495674086
C   -1.8628996791  -0.8920146819  -0.1761494156
C   -1.8227938163  -2.2928305437   0.4598555848
C   -0.3672256321  -0.5760039606  -0.3498749765
C   -0.7782598169  -3.0131223781  -0.4021483600
C    0.1884259294  -1.9108369512  -0.8891809464
C   -3.1357133665  -3.0449122119   0.7295166136
C   -2.6820520933   0.0955072872   0.6520384557
C    0.3596213369  -0.1360893336   0.9299954424
C   -4.0378067926  -3.2912179257  -0.4793770235
C   -2.8225751470  -4.3745259448   1.4138782514
C    1.7531566534   0.3377234842   0.6256147879
C   -2.9919404149   1.9959522493  -0.9579826855
C    1.9509735095   1.5340467771  -0.0635076461
C    2.8739882115  -0.4017657090   0.9884198094
C    3.2215730697   1.9763658824  -0.3933587316
C    4.1568180387   0.0246385422   0.6698161466
C   -1.9526611058   3.4334980974   0.1017445981
C    4.3180576173   1.2108538337  -0.0247381557
H   -1.3809815823  -2.1456813402   1.4526684398
H   -0.2591422903   0.2243540395  -1.0885181451
H   -1.2478556935  -3.5134302539  -1.2509561786
H   -0.2610436419  -3.7858151513   0.1662123290
H    1.2049656708  -2.0832519130  -0.5327614822
H    0.2464063230  -1.8971895577  -1.9769581164
H   -3.7095051273  -2.4469364123   1.4467394253
H   -2.3831664352   0.0850012165   1.6981258034
H   -3.7370216192  -0.1864592366   0.6259973807
H    0.4042714374  -0.9569875509   1.6490531376
H   -0.1810349848   0.6780853634   1.4143768939
H   -3.2383938222  -1.2925578244  -1.5208730159
H   -4.8335100478  -3.9887391034  -0.2130345588
H   -4.5502998319  -2.3902367027  -0.8254661309
H   -3.4998163776  -3.7275350610  -1.3223958877
H   -2.3317442076  -5.0725786322   0.7326920102
H   -3.7374560595  -4.8535079748   1.7661642049
H   -2.1687869477  -4.2388828875   2.2775975174
H   -3.5764217188   1.4545299453  -1.6825655096
H    1.0979296022   2.1395001550  -0.3490405396
H    2.7526014331  -1.3300434322   1.5331445490
H    3.3527821952   2.9060571528  -0.9300263958
H    5.0142852346  -0.5674295218   0.9593578605
H   -1.5011399680   4.3719473043   0.3830577359
*