! 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   0.4563196336  -0.3202882454  -1.9010928399
Cl  -4.4948683083   0.9282456467  -0.2859196693
O    0.5114288540  -3.1010300035  -0.1751402387
N    1.3952317331  -2.3887577329   0.5752678678
N    3.5108217793   1.9619743750  -0.6256886721
C    1.8167143164  -0.3755313828   1.7772415563
C    0.9339886642  -1.2701321961   0.9552305345
C   -0.4167958173  -0.7615358424   0.6176778192
C    2.1236913290   0.8797176048   1.0056838231
C   -0.7318676750  -0.2876542853  -0.6514580925
C   -1.3957181359  -0.6977286508   1.6028727773
C    1.3094213327   2.0028156129   1.0624021166
C    3.2103369848   0.9222518538   0.1381622231
C   -1.9808526083   0.2374894129  -0.9408479226
C   -2.6560373577  -0.1883752624   1.3391150754
C   -2.9329558335   0.2769665027   0.0644486719
C    1.6077272619   3.0941712769   0.2616088525
C    2.7157250620   3.0238947153  -0.5666821352
C    1.1286696806  -4.2705998603  -0.6742556963
H    1.3133027106  -0.1242524473   2.7147011569
H    2.7335528663  -0.9093483146   2.0307153538
H   -1.1719031439  -1.0569436706   2.5992083864
H    0.4524273979   2.0291217912   1.7248780778
H    3.8705749156   0.0632049288   0.0628286936
H   -2.2049088185   0.6079822738  -1.9314586540
H   -3.4045874773  -0.1546368712   2.1182424418
H    0.9937651524   3.9843320009   0.2778460287
H    2.9762912527   3.8610778003  -1.2045842312
H    1.9732465165  -4.0387119873  -1.3275646776
H    0.3685108423  -4.7897500856  -1.2557374569
H    1.4682604499  -4.9284134833   0.1297413687
*