! 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  -0.7152326488  -0.6997624521   2.3683186326
Cl   2.1128944240  -4.1010935191  -0.5978683679
O   -1.8904921131   1.2359505200   0.4232470712
O   -0.6587874481   1.8600761456  -1.3502809590
N    1.6332946572   2.1562523906   0.5523643749
N    2.1303561685   2.7504060789  -0.5337185135
N    3.7291484736   1.5961648259   0.5277357355
C   -0.5882685746   1.2865211467  -0.0758523014
C   -2.8023109505   1.3715850732  -0.6640833603
C   -1.9984214556   2.2410125602  -1.6172907221
C   -3.2120907965   0.0317074853  -1.2575423311
C    0.2295128012   2.1932256801   0.8642640661
C    0.0551917888  -0.0945252729  -0.1903861606
C   -3.8417612055  -0.9361847155  -0.2609998536
C    0.0521174690  -1.0239385009   0.8478663099
C    0.7336567596  -0.4469464617  -1.3538424115
C   -5.1852192926  -0.4719104240   0.2844416885
C    0.6763052939  -2.2572294854   0.7312746825
C    1.3683033815  -1.6684856141  -1.4967343208
C    2.5954198143   1.4642324193   1.1699641073
C    1.3305746253  -2.5682449325  -0.4469913111
C    3.3878834232   2.3908080046  -0.5059406671
H   -3.6749016651   1.9055056834  -0.2828299539
H   -2.2176118890   2.0513106052  -2.6689534467
H   -2.1462844239   3.3072710739  -1.4188254225
H   -2.3476156864  -0.4422937871  -1.7328823167
H   -3.9231247312   0.2381829645  -2.0642849265
H    0.1092288131   1.8772986847   1.8988074582
H   -0.1314209065   3.2190547745   0.7875891556
H   -3.1496677861  -1.1171560218   0.5648701786
H   -3.9741593524  -1.9005358147  -0.7578189090
H    0.7708495700   0.2494963094  -2.1785680483
H   -5.6111079226  -1.2141136623   0.9611661956
H   -5.1070903765   0.4612253977   0.8452642552
H   -5.9059477108  -0.3118276762  -0.5206623477
H    0.6531057594  -2.9599132765   1.5527590073
H    1.8846619515  -1.9071517036  -2.4160528023
H    2.4276273257   0.8991103856   2.0737865415
H    4.0895073038   2.7173509952  -1.2578806737
*