! 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  -4.9854281196  -2.8441367917  -0.5839463562
O    1.5674731860  -1.3216056546  -0.6355036254
N    1.8890069908   0.0176408904  -0.9444694655
N    1.4414622233   4.2275896481   1.2787382184
C    2.0770957185   0.6103150787   0.3957444673
C    0.9082807456   0.0120907813   1.1934917591
C    0.7469112877  -1.3649811106   0.5376657027
C    2.1042254017   2.1179239517   0.3382814690
C    3.4117197578   0.1331875083   0.9763586701
C   -0.6840630918  -1.7353926714   0.2270880191
C    0.7916645120   0.6001592967  -1.7084146243
C    2.9035165922   2.7876215243  -0.5857594768
C    1.4064514677   2.8990118989   1.2506755668
C   -1.0592100482  -2.2703491960  -0.9998143253
C   -1.6604639544  -1.5718615419   1.2072799723
C    2.9401322739   4.1701560914  -0.5747932003
C   -2.3798305585  -2.6129886389  -1.2555003244
C   -2.9823563704  -1.9112833861   0.9691465400
C    2.1898547640   4.8456555252   0.3750809999
C   -3.3325436774  -2.4274602669  -0.2686162511
H    1.1229284216  -0.0593888541   2.2582279070
H   -0.0021215164   0.6025965712   1.0804528956
H    1.1720478434  -2.1455414864   1.1766776189
H    3.5588128516   0.5647656623   1.9661349620
H    4.2464530802   0.4434549027   0.3476724886
H    3.4536448671  -0.9510908799   1.0802333071
H    0.5786090879  -0.0462436266  -2.5561792531
H    1.1044270550   1.5607647766  -2.1108695030
H   -0.1373650501   0.7546433602  -1.1509396256
H    3.4877163820   2.2389308540  -1.3134969472
H    0.7898905698   2.4353134857   2.0113711830
H   -0.3262066063  -2.4203552663  -1.7800432762
H   -1.3969069100  -1.1677530025   2.1769622880
H    3.5414019905   4.7189442179  -1.2860982464
H   -2.6560597324  -3.0186406126  -2.2191236775
H   -3.7267932919  -1.7686984567   1.7402709272
H    2.1966288471   5.9284860639   0.4090425739
*