! 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   2.2039766141  -1.1963518183   2.1652183172
Cl   0.5400117329  -1.7924178590  -2.9149426318
Cl   2.9683668592   2.7389772570  -1.3813491504
O    0.8728293721  -2.5911143145  -0.1559582427
O   -1.6428875286  -0.7396483460   2.4242103814
N   -1.6563802613  -0.7989971936   0.1525014601
N   -1.5265746394   1.2360808394   1.3229126363
N   -1.7309872851   3.2932449045   2.0817806501
C   -2.3141127464  -0.2347056249  -1.0307065027
C   -1.5648899033  -2.2578050803   0.1771557451
C   -3.8055206658  -0.5419879463  -1.0997874573
C   -0.2537445299  -2.8169948334   0.6966623713
C   -1.6277330334  -0.1762554637   1.3503074842
C   -4.6193622886   0.0901599586   0.0187085971
C    1.3215992816  -1.3471132738  -0.3841992662
C   -0.7993849817   2.0412469103   0.4722084471
C   -2.0507456145   2.0521256662   2.2830467652
C    1.9646651088  -0.5679483079   0.5787173250
C    1.2504958924  -0.8269939527  -1.6775571420
C   -0.9403089746   3.2990603897   0.9607727157
C    2.4740416073   0.6862783665   0.2843296867
C    1.7585095984   0.4181385669  -2.0038106415
C    2.3574010359   1.1694590699  -1.0067557091
H   -2.1734897006   0.8421548913  -1.0666234085
H   -1.8108624637  -0.6365088740  -1.9094323657
H   -1.7231710911  -2.6105657919  -0.8411733384
H   -2.3615019720  -2.6954914750   0.7863728349
H   -3.9725028234  -1.6223475886  -1.1218344099
H   -4.1560993954  -0.1652447790  -2.0638991865
H   -0.0504368049  -2.4858329408   1.7129944370
H   -0.3544137176  -3.9010557116   0.7280660575
H   -4.3900989098  -0.3346225048   0.9973760727
H   -4.4580479503   1.1687097984   0.0713409460
H   -5.6853199610  -0.0689435674  -0.1461862899
H   -0.2449693724   1.6595250891  -0.3669340340
H   -2.6688672740   1.6754301926   3.0828087795
H   -0.5121409557   4.2090496386   0.5703954797
H    2.9597179196   1.2700973377   1.0538483461
H    1.6832157809   0.7916761115  -3.0154865412
*