! 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  -5.3946855986   3.3487756775   1.7091540538
O    1.8636479207   1.2796986259   0.8534364696
O    3.3336904843  -1.9824765180  -1.7598594691
N    2.5953847115  -0.6262644217  -0.0970648367
N    1.5845287240  -2.7074863303  -0.5119247514
N   -0.0672788882  -4.1246746247  -0.8451731787
C    1.5261106414  -0.0874512212   0.8034351437
C    3.6634218797   0.3852292909  -0.2955852304
C    3.2684646778   1.3731963734   0.7982750269
C    0.1082714492  -0.1831590532   0.2473847321
C    1.5917868910  -0.6797570229   2.2080436971
C    5.0574381516  -0.1655630509  -0.0394414134
C    3.5707441534   1.0554818509  -1.6645128183
C   -0.0908610199   0.3363709927  -1.1682361898
C    2.5761302441  -1.7326035610  -0.8432607004
C   -1.5359114068   0.1665412753  -1.6464029236
C   -2.5203231811   0.9487086403  -0.8231758085
C    1.5393212154  -3.5150269966   0.5984777694
C    0.6071867280  -3.1336853424  -1.3540482571
C   -3.3343516307   0.3270152179   0.1186664876
C   -2.6144244935   2.3323291065  -0.9615008637
C    0.5145369328  -4.3788603858   0.3690168915
C   -4.2198943819   1.0541674310   0.9023641852
C   -3.4920563105   3.0772512663  -0.1894558081
C   -4.2899324616   2.4273494106   0.7398007684
H    3.7286294594   1.1132366048   1.7594881281
H    3.5473802674   2.3977765491   0.5541516941
H   -0.5157296069   0.3909107581   0.9384054381
H   -0.2515844020  -1.2101463868   0.3319007601
H    2.6077087509  -0.7054149556   2.6026908128
H    1.1925409191  -1.6896749510   2.2439019509
H    0.9816881868  -0.0704217327   2.8755569425
H    5.4141758306  -0.7944981970  -0.8514561216
H    5.0964106957  -0.7375578606   0.8883292729
H    5.7541887492   0.6685108015   0.0581101494
H    2.5903106774   1.5040869868  -1.8272428228
H    4.3131823096   1.8525700056  -1.7237693928
H    3.7693157876   0.3604538584  -2.4764901524
H    0.1871872374   1.3912767578  -1.2255572468
H    0.5571514825  -0.1856885790  -1.8772271508
H   -1.8023396217  -0.8938720763  -1.6304063133
H   -1.5958288830   0.4859352323  -2.6891057974
H    2.2486504443  -3.4362629344   1.4039432997
H    0.4356706084  -2.6790254862  -2.3170034214
H   -3.2843332166  -0.7472728513   0.2479440853
H   -1.9949705671   2.8444818847  -1.6881427293
H    0.1700772010  -5.1717219598   1.0127731451
H   -4.8449640766   0.5507904522   1.6272478409
H   -3.5531391548   4.1496635386  -0.3151774523
*