! 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  -5.2993913978   1.1180601599   0.7276263354
F   -0.1679955555  -0.5588474322  -1.9987081096
F   -0.9303541277  -2.4769056043  -1.3902894987
F   -2.1241077255  -1.1890977819  -2.6243839588
O    2.2688908387   1.4315433686  -0.2941271809
N    2.4476676765  -1.0929950060   0.8991163777
N    0.1838684730  -1.0423583921   0.8370362267
N    4.5750795670  -1.5725179411   1.2222530042
C    1.2539628565  -0.3746186901   0.8283540235
C    1.3772631457   1.1240188286   0.7362736114
C    2.5301882945   2.8173532054  -0.3977675906
C   -1.0763628916  -0.4638738375   0.7871272046
C    3.5892710859   3.0481390964  -1.4539364581
C   -1.8598126518  -0.5687737087  -0.3687506810
C   -1.6246644909   0.1412489757   1.9152478353
C   -3.1567207502  -0.0765673711  -0.3865130825
C    2.5647915159  -2.4632019478   0.7754030979
C    3.8781820895   4.5314097355  -1.6286503941
C    3.7030406901  -0.6166292185   1.1704689608
C   -1.2739259103  -1.2006453341  -1.5942348877
C   -2.9180505334   0.6318193946   1.9021618867
C   -3.6776695438   0.5163736666   0.7505693008
C    3.8777431898  -2.7305062733   0.9706306990
H    1.7168683414   1.5144125902   1.7074875496
H    0.3857397148   1.5554996883   0.5584719048
H    2.8712298635   3.2126065260   0.5696318301
H    1.6097382641   3.3592283257  -0.6564846502
H    4.5049064889   2.5224461118  -1.1700882441
H    3.2573927065   2.6207814018  -2.4037790438
H   -1.0345547247   0.2146423013   2.8194560190
H   -3.7653552050  -0.1500358232  -1.2768782114
H    1.7222590729  -3.0937069664   0.5530273484
H    4.6511844634   4.6942675828  -2.3797503937
H    2.9893432582   5.0773712896  -1.9502702285
H    4.2259867259   4.9852277332  -0.6986477735
H    3.9140813297   0.4270071414   1.3321271631
H   -3.3244871062   1.0998487046   2.7884256754
H    4.3661082206  -3.6917846396   0.9419640137
*