! 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  -5.4659456409  -0.7391841943   0.3470533126
O    3.5792655201   0.6888442050  -0.0363635578
O    0.3001967382  -0.5447668895  -0.6799646849
N    1.0949438596   1.6148258356  -0.3992282294
N    1.4207613717   1.9806986564  -1.6440793757
N    0.7316377620   3.7541024480  -0.4538099227
C    2.9895764826  -1.5137035913   0.6848960054
C    2.6227354521  -0.3239694978  -0.2292200008
C    1.2087339199   0.2430973913   0.0363010366
C    4.3250074179  -2.0818512497   0.1960447401
C    3.1379209664  -1.0782819116   2.1446239492
C    1.9425433061  -2.6267834129   0.6030106336
C    0.6907042188   2.6804376275   0.2939925541
C   -1.0255837265  -0.5237436589  -0.3776935427
C    1.1847374789   3.2658765420  -1.6248957673
C   -1.5724103922   0.0474962419   0.7647712494
C   -1.8577540141  -1.1542026687  -1.2990984197
C   -2.9420288015  -0.0223752898   0.9853093305
C   -3.2206989531  -1.2234624595  -1.0793461999
C   -3.7582326275  -0.6549123564   0.0665707395
H    2.6354507765  -0.6785578331  -1.2684187564
H    1.0001411415   0.2501446379   1.1094746927
H    5.1349106143  -1.3570028179   0.2723132152
H    4.6065819454  -2.9514924527   0.7927416502
H    4.2622960006  -2.4069967121  -0.8450915481
H    3.4077402507  -1.9391056014   2.7590636238
H    2.2117728588  -0.6770730551   2.5618976045
H    3.9170146370  -0.3282817259   2.2789617887
H    1.7506836890  -2.9378967734  -0.4251127365
H    0.9890212177  -2.3540730943   1.0573850295
H    2.3060957736  -3.5023214236   1.1441425941
H    3.6174909798   1.2289293243  -0.8325322664
H    0.3887121583   2.6321468973   1.3285210396
H    1.3483498555   3.8817921340  -2.4949492269
H   -0.9716921888   0.5409814386   1.5151448925
H   -1.4340520802  -1.5966759459  -2.1911571212
H   -3.3557512175   0.4222380364   1.8797653361
H   -3.8553137831  -1.7174629376  -1.8020243764
*