! 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   5.4285463730   3.1034047688  -0.8921419094
O   -2.2426237579   0.0137447285   2.0853745615
N   -0.9711510355  -2.7462837766   0.0711272995
N    0.3259698408  -2.7595740698  -0.2517642895
N   -0.8418921424  -4.0486381613  -1.6681288674
C   -1.7811151831  -0.4969714446   0.8470160399
C   -2.7964756449  -0.2590586921  -0.3021667648
C   -0.5292045830   0.2678442815   0.3728086129
C   -2.3765532502   1.0979351212  -0.9308773084
C   -1.1086872488   1.5538128275  -0.2023390764
C   -4.2911136944  -0.2846660902   0.0553105905
C   -1.4906547400  -1.9713647756   1.1730580938
C    0.5440769160   0.4647044759   1.4403701344
C   -5.1207374855  -0.1479916867  -1.2209858828
C   -4.7542851810  -1.5293807911   0.8051366770
C    1.7706929625   1.1257558247   0.8797185831
C   -1.6477613141  -3.5155112691  -0.7820855393
C    2.0233546206   2.4780779303   1.0878030843
C    2.6749433988   0.3985619096   0.1078829875
C    3.1427417178   3.0959376933   0.5472643367
C    3.7994882449   0.9957121011  -0.4398189494
C    0.3504041046  -3.5485991182  -1.2948514651
C    4.0229718328   2.3455002061  -0.2139467867
H   -2.6300581838  -1.0395880787  -1.0535897408
H   -0.0913288822  -0.2963365389  -0.4564764272
H   -3.1687323335   1.8430033305  -0.8397949522
H   -2.1851594034   0.9788446891  -1.9974137250
H   -0.4079633778   2.0678833991  -0.8603559107
H   -1.3482627400   2.2608346028   0.5998622789
H   -4.5044634183   0.5861948123   0.6864395665
H   -2.3930765868  -2.4714781722   1.5183021028
H   -0.7685433331  -2.0339939716   1.9872137337
H    0.8244462282  -0.5023423999   1.8661272199
H    0.1480824038   1.0672428282   2.2600374485
H   -2.4524825245   0.9485753743   1.9857255131
H   -4.8756173988   0.7480831119  -1.7920040741
H   -4.9663966103  -1.0078325121  -1.8779717422
H   -6.1859987363  -0.1011733449  -0.9882651747
H   -4.5319180328  -2.4436480652   0.2487074612
H   -5.8369830729  -1.5016688399   0.9434883305
H   -4.3127800704  -1.6150588304   1.7961308378
H   -2.7123798343  -3.6751690007  -0.7128694773
H    1.3386658482   3.0669224383   1.6860213343
H    2.5002675342  -0.6564316959  -0.0683024219
H    3.3224131072   4.1478630133   0.7231230339
H    4.4928822884   0.4135716238  -1.0314199065
H    1.2725978023  -3.7787332560  -1.8051553899
*