! 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   1.5565368558  -0.4456375709   2.2348626070
Cl   4.0800044731  -3.5354210660  -1.2972728627
O   -1.2841093105   0.4055026789  -1.1693443212
O   -1.0905176324  -0.0000712824   1.0326135197
N   -0.7739504483   2.7192737055   0.5037987609
N   -1.6152832688   3.3460834187  -0.3219237915
N   -2.0982670090   3.8363666152   1.8095343783
C   -0.3765640602   0.3744130872  -0.1138430355
C   -2.4720357711  -0.2815431869  -0.7904715371
C   -2.4701797016  -0.0819040983   0.7147081168
C    0.2146441579   1.7865700778   0.0344354838
C    0.7446043653  -0.6266490957  -0.3735906463
C   -3.6589413868   0.3099417004  -1.5187912380
C   -4.9666476662  -0.3451324824  -1.0989887891
C    1.6449203141  -1.0375732699   0.6086775033
C    0.9216396143  -1.1415629268  -1.6536524667
C    2.6698772991  -1.9302448421   0.3347783201
C    1.9349763398  -2.0361655266  -1.9551191508
C   -1.0801324883   3.0122209065   1.7706986101
C    2.8029829391  -2.4244456387  -0.9508892643
C   -2.3860318829   4.0070798678   0.5032704118
H   -2.3788313274  -1.3494439913  -1.0316506442
H   -2.9966609397   0.8357675165   1.0048650777
H   -2.9072318214  -0.9168728284   1.2623124812
H    0.5997956099   2.1289493168  -0.9253084275
H    1.0445197900   1.7901457156   0.7387578874
H   -3.5166016503   0.1839422720  -2.5948608099
H   -3.6954215219   1.3855362439  -1.3266581681
H   -4.9456595253  -1.4250555004  -1.2560644328
H   -5.1950312321  -0.1679290295  -0.0463502840
H   -5.7992069880   0.0527657738  -1.6789906152
H    0.2524066059  -0.8384881791  -2.4464056060
H    3.3523804668  -2.2327620652   1.1167243963
H    2.0404212728  -2.4176505222  -2.9610773428
H   -0.5360158644   2.6171173091   2.6140837195
H   -3.1845512274   4.6417394344   0.1512109205
*