! 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   5.0134516569   2.8466691915   1.3340660879
O   -2.3494179120  -0.8089606830  -1.7919127837
N   -1.1202631341  -2.7498122693  -0.1373119761
N   -0.0363028663  -2.7934399606   0.6433057313
N    0.3379387053  -3.8966973724  -1.2725908424
C   -2.3096442863  -0.5820331089  -0.3961260725
C   -3.5512991033   0.2384861085   0.0693232890
C   -1.0947082979   0.3041896713   0.0136303005
C   -3.1122076033   1.6642561432  -0.2842010366
C   -1.6518970602   1.7411481389   0.1581532146
C   -2.2856374439  -1.9749113834   0.2284262102
C    0.0916150821   0.2341011253  -0.9576598475
C   -3.7636991994   0.1355612018   1.5837209205
C   -4.8436660897  -0.1597241507  -0.6327945423
C    1.3173862694   0.8965579073  -0.3922739707
C   -0.8790878158  -3.4029103419  -1.2726818618
C    2.0547616223   0.2732588101   0.6137139336
C    1.7496280627   2.1384973169  -0.8466874026
C    3.1874667623   0.8633666250   1.1504806273
C    2.8813662684   2.7483762568  -0.3214291811
C    0.8060600894  -3.4868161280  -0.0795365378
C    3.5920049439   2.1019059819   0.6749532923
H   -0.7416880945  -0.0404633174   0.9892806687
H   -3.7441168521   2.4176508329   0.1896753900
H   -3.1967399742   1.8329120785  -1.3636575131
H   -1.0889879314   2.4613144633  -0.4378162688
H   -1.5807685919   2.0786376952   1.1927056298
H   -3.1705826022  -2.5385980005  -0.0717255212
H   -2.2885891277  -1.9142780066   1.3127436144
H   -0.1681119467   0.7174813676  -1.9023625798
H    0.3357423465  -0.8016050765  -1.1992779684
H   -4.1664640866  -0.8358108772   1.8755186206
H   -2.8538728241   0.3003683618   2.1638103663
H   -4.4886971601   0.8864367757   1.9029530373
H   -5.1056668697  -1.2047303882  -0.4523732471
H   -5.6714634849   0.4451456569  -0.2572699204
H   -4.7994144494  -0.0088266656  -1.7112191035
H   -2.3765128328   0.0339310367  -2.2573441250
H   -1.6107319970  -3.5159801146  -2.0556849362
H    1.7433690199  -0.6968392236   0.9828939118
H    1.2023026566   2.6436505023  -1.6332227398
H    3.7487892950   0.3598719959   1.9258870658
H    3.2011596848   3.7127889526  -0.6919339548
H    1.7984558617  -3.7153430767   0.2764609007
*