! 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   0.4166216843   0.9988572952  -2.3665392405
Cl   3.1935314503   4.2940882284   0.7660075725
O   -1.3097651384  -0.5104484106  -0.5381999646
O   -0.5934799353  -1.1272340720   1.4834594618
N   -0.0612468687  -3.0562692107  -0.4939627694
N   -0.0210643607  -3.9902256145   0.4582239631
N   -1.4666580776  -4.5719532149  -1.1493504452
C   -0.1592192504  -0.7128308345   0.2279913452
C   -2.4503664302  -0.4207486849   0.3134274563
C   -1.8404978020  -0.4973234022   1.7107231961
C    0.6869161524  -1.8336569209  -0.3826338621
C    0.6734494739   0.5661773817   0.3248248449
C   -3.2375396677   0.8454827143   0.0443529881
C   -4.4943128551   0.9157008144   0.8999993615
C    0.9687043349   1.3779072709  -0.7692867896
C    1.2086202165   0.9383147838   1.5546285849
C    1.7414013223   2.5230627908  -0.6428020796
C    1.9798868953   2.0771792434   1.7107721924
C   -0.9311891876  -3.4121710231  -1.4429668094
C    2.2360181975   2.8653054091   0.6031530422
C   -0.8750633358  -4.8788686659   0.0225464298
H   -3.0858055512  -1.2941589678   0.1245054520
H   -1.7068691140   0.4996116489   2.1502207612
H   -2.4154067174  -1.1071592004   2.4058077363
H    1.5615357277  -2.0227879449   0.2377577627
H    1.0416947337  -1.5437004648  -1.3703372400
H   -2.6031129586   1.7164849346   0.2333588291
H   -3.5133822534   0.8780935152  -1.0122317081
H   -5.1478605452   0.0600586310   0.7198799319
H   -4.2655318541   0.9373003271   1.9675133346
H   -5.0662325665   1.8162457116   0.6762300817
H    1.0201504861   0.3246704468   2.4246475693
H    1.9528960815   3.1354993661  -1.5083758820
H    2.3721898262   2.3382624321   2.6837178947
H   -1.1293459401  -2.8114579855  -2.3163652152
H   -1.0764123696  -5.7886659879   0.5667490805
*