! 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   0.6430518572  -1.0660528894  -2.2145156372
Cl   5.2615949158  -0.7930877746   0.4744812967
O   -1.0353120840   1.2331881561   1.1565969697
N   -2.8374504404  -0.8942179474   0.4972363169
N   -4.8935784962  -0.3427012421   1.0648709333
C   -0.6747184304   0.2343347533   0.2398240227
C   -1.4094516022  -1.0624214204   0.6022133668
C    0.8170613988   0.0018820273   0.2776907541
C    1.4969551245  -0.6022897894  -0.7761493410
C    1.5627132967   0.3504729565   1.3995581691
C   -3.5607584536  -0.8473776534  -0.6629182983
C   -3.6829010902  -0.5712211024   1.5006059232
C   -1.8422715276   2.2838429486   0.6479683878
C    2.8594856299  -0.8515624567  -0.7335296935
C    2.9246406701   0.1127530988   1.4743958050
C    3.5618489149  -0.4884499840   0.4025288335
C   -4.8288447692  -0.5108109225  -0.2888911590
C   -1.1420440777   3.1020448039  -0.3898196716
C   -1.6220700160   3.2931621390  -1.6119702710
H   -0.9583118686   0.5245894856  -0.7794697455
H   -1.0968570441  -1.8809060834  -0.0458922550
H   -1.1666491779  -1.3504760508   1.6256396529
H    1.0720244268   0.8243305323   2.2382143037
H   -3.1273709857  -1.0653337232  -1.6255297803
H   -3.3582175141  -0.5276380912   2.5290517419
H   -2.7933288692   1.9065168141   0.2533009404
H   -2.0791682688   2.9036704935   1.5157186018
H    3.3599882900  -1.3184559343  -1.5705676497
H    3.4768334128   0.3963411594   2.3596314565
H   -5.6949038814  -0.3899390616  -0.9214372869
H   -0.2017691785   3.5586960590  -0.0951267371
H   -1.1066573663   3.9096307263  -2.3374323636
H   -2.5549749631   2.8437996088  -1.9342069039
*