! 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   5.0110138121   3.9839135036   1.6568496346
O   -1.4933474457  -0.6437498100  -1.8204106771
N   -1.6235335106  -3.2873780676  -0.6477282233
N   -2.4954097169  -3.9753599486   0.0951052100
N   -2.5743062840  -4.6671502613  -2.0367253756
C   -1.3846784767  -0.7998898654  -0.4188267344
C   -2.7148496041  -0.3911251361   0.2817010136
C   -0.3607965750   0.2434252161   0.0961244520
C   -2.6375270892   1.1383326767   0.1813158589
C   -1.1838159689   1.4886719176   0.4914513064
C   -0.8355158618  -2.1999919494  -0.1087417375
C    0.7733738214   0.5417576310  -0.8914753876
C   -2.7217772902  -0.8159497462   1.7520332698
C   -3.9871973832  -0.9164045741  -0.3811686245
C    1.8375763573   1.4028051763  -0.2701690745
C   -1.6853984484  -3.7090494731  -1.9108319534
C    1.9076391102   2.7678826785  -0.5325019927
C    2.7746551778   0.8552474059   0.6042535184
C    2.8751231528   3.5703501867   0.0563676078
C    3.7517050032   1.6373878088   1.1999131543
C   -3.0358203130  -4.7860264049  -0.7792878355
C    3.7913003642   2.9948952398   0.9201715075
H    0.1005953392  -0.1741434429   0.9968629804
H   -3.3478876615   1.6256404573   0.8524485135
H   -2.8933532258   1.4551023091  -0.8327645673
H   -0.8638133845   2.3807922394  -0.0481494063
H   -1.0519528560   1.7081839662   1.5513192185
H   -0.7433466281  -2.3653467180   0.9619358188
H    0.1672773555  -2.2856016921  -0.5312066760
H    0.3746006844   1.0426953110  -1.7744996766
H    1.2293550875  -0.3919421319  -1.2332623826
H   -2.8425574681  -1.8940251454   1.8619166800
H   -1.8151480504  -0.5287432243   2.2875519058
H   -3.5605569893  -0.3430714289   2.2662461950
H   -4.1121677111  -0.5666813538  -1.4093364735
H   -4.0531039645  -2.0047853658  -0.3771601990
H   -4.8570517238  -0.5469347573   0.1655042771
H   -2.3209690779  -1.0285947735  -2.1243482125
H   -1.0565618580  -3.3187559861  -2.6944567791
H    1.2002872092   3.2214014721  -1.2159261945
H    2.7503889068  -0.2056976195   0.8237624029
H    2.9116199372   4.6286543571  -0.1635352490
H    4.4733714181   1.1910135640   1.8703576347
H   -3.7942656465  -5.4978579319  -0.4932119262
*