! 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 "1-OCTANOL"
end
*xyz 0 1
Cl   1.9640743185  -0.7320992553  -2.0003176448
Cl   0.6793613464  -5.4298323213   0.1559712050
O   -0.8580621340   0.9735017631   1.0769308256
O   -0.0846062041   1.1442057870  -1.0059055857
N    1.4420643416   2.6469021048   0.7914194922
N    1.9683448804   3.3526677751  -0.2110282326
N    0.9717718081   4.7104664998   1.2637440213
C    0.2003441090   0.6015879033   0.2399867530
C   -1.9740765261   1.4060155228   0.2919821100
C   -1.4928810128   1.1309371579  -1.1317869058
C   -3.2374286448   0.6818904528   0.7263137870
C    1.4889118571   1.2097316965   0.8004046538
C    0.3287048343  -0.9216359296   0.1878189261
C   -4.5312573734   1.3318215253   0.2428827032
C    1.0891864942  -1.5860869360  -0.7741230618
C   -0.3010726812  -1.7046737885   1.1505331304
C   -4.7375121502   1.3397591294  -1.2648376020
C    1.1997882006  -2.9686097698  -0.7927802350
C   -0.2047111691  -3.0859069194   1.1586373603
C    0.8450865220   3.4674081587   1.6601964166
C    0.5456122916  -3.7074977937   0.1768692248
C    1.6653750842   4.5816462480   0.1150314147
H   -2.0978785112   2.4840610033   0.4514908499
H   -1.8486977835   0.1610737453  -1.5024480777
H   -1.7764832468   1.9007857558  -1.8473375287
H   -3.2560961087   0.6665570221   1.8193605548
H   -3.1967146851  -0.3629097715   0.3999738783
H    2.3590695134   0.9002049641   0.2257662589
H    1.6286056890   0.8589973149   1.8230406194
H   -4.5822905975   2.3567694585   0.6227876934
H   -5.3638898684   0.7993728658   0.7087354302
H   -0.8877844871  -1.2283068828   1.9228064807
H   -5.7269540174   1.7251589950  -1.5152259722
H   -4.0163598239   1.9737487329  -1.7826998783
H   -4.6642270021   0.3357718028  -1.6876128660
H    1.7908427190  -3.4574849060  -1.5547528745
H   -0.7106142781  -3.6610675839   1.9213618750
H    0.3541403909   3.1220252921   2.5559190142
H    1.9587692283   5.4209057547  -0.4965991211
*