! 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   0.5708506209  -1.3188042232   2.4991123223
Cl   4.4524460578  -1.4489494925  -1.1492007551
O   -1.9878007147   0.1661016077  -0.9081650619
O   -1.9582865571  -1.0860067668   0.9310777298
N   -0.5008517956   2.2346554089   0.5800880605
N    0.7567237838   2.4256505797   0.9849557615
N    0.2539589126   3.8206246477  -0.6912641675
C   -1.2679537585  -0.0783798600   0.2652053026
C   -2.7320060215  -1.0042552345  -1.2554796707
C   -2.4565932399  -1.9455409909  -0.0768382589
C   -1.3106151204   1.1830468982   1.1355426344
C    0.1691045332  -0.4791685625  -0.0730467051
C   -4.1914535637  -0.6459047765  -1.4773267808
C   -4.9010475530  -0.0311451451  -0.2809059869
C    1.0514246173  -1.0148847792   0.8630163806
C    0.6654233605  -0.2475448254  -1.3517751117
C    2.3648598726  -1.3203210294   0.5417117963
C    1.9731133301  -0.5393824368  -1.7013807266
C   -0.7853398299   3.0676520386  -0.4255144033
C    2.8138404541  -1.0767756794  -0.7444198515
C    1.1686382565   3.3861184698   0.1992064104
H   -2.3284114050  -1.4284321759  -2.1801673039
H   -3.3463264682  -2.4490321701   0.3015457656
H   -1.7195673542  -2.7113610825  -0.3406025791
H   -0.9456327048   0.9754342151   2.1383981392
H   -2.3427164114   1.5243789490   1.2170184293
H   -4.7048073917  -1.5601062792  -1.7879017834
H   -4.2549730523   0.0351081139  -2.3305081592
H   -4.9044480949  -0.6885918544   0.5899664924
H   -4.4514937587   0.9169385371   0.0156775008
H   -5.9433378975   0.1733369399  -0.5280819749
H    0.0181348411   0.1793211449  -2.1045282233
H    3.0267527884  -1.7369376190   1.2883094837
H    2.3235432456  -0.3458450649  -2.7056486584
H   -1.7456640565   3.0953893132  -0.9156308655
H    2.1648712975   3.7939354196   0.2735061001
*