! 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  -1.7248338695  -2.9489625937  -1.5692589069
F    1.3934452458  -0.5734130542  -1.2966899159
F    0.4707617955   1.1543641812  -0.4036042496
F    1.4941139519   1.3297615025  -2.2817100673
F   -4.0257343824   1.8011942594  -1.4739061245
F   -5.1733966271   1.1712357720   0.2295984709
F   -3.6290567557   2.6488460371   0.4651538787
O    3.2578895942  -2.1663431435   0.7014935923
N    1.6016784292  -1.0174635522   1.7293468051
N   -1.3270285587  -0.5434912522   1.5296623003
C   -0.1601946027  -2.6145656588   1.0649448826
C    0.8233346751  -2.1668688880   2.1367842781
C   -1.1589263983  -1.5584217990   0.6936404145
C    3.3410546552   0.2021376816   0.6178728973
C    2.7191728942  -1.1126861252   1.0010906417
C    2.8236406252   1.0556312218  -0.3585604536
C   -1.9072385769  -1.6197821244  -0.4851916197
C   -2.9520895056   0.4303744455   0.0986036195
C   -2.8090596342  -0.6225514233  -0.7929877706
C    4.5326061999   0.5379920340   1.2503250731
C    3.4851103510   2.2408908153  -0.6631220909
C   -2.1898452975   0.4204957894   1.2546213670
C    1.5493845206   0.7385816009  -1.0850127397
C    5.1853051956   1.7218603138   0.9479619116
C    4.6584297747   2.5758675647  -0.0080200770
C   -3.9421792837   1.5167293608  -0.1702256588
H    0.3880794875  -2.9434305261   0.1805499383
H   -0.6954742045  -3.4994516802   1.4240564865
H    0.3045903757  -1.9099684624   3.0574950954
H    1.4957861734  -2.9922041274   2.3666484323
H    1.2353689092  -0.1073784885   1.9538448451
H   -3.3811350066  -0.6726998984  -1.7102615262
H    4.9479704411  -0.1290209088   1.9948751860
H    3.0964998660   2.9117747370  -1.4170019319
H   -2.2674942971   1.2120026082   1.9902270110
H    6.1065868735   1.9733776828   1.4562528891
H    5.1618957186   3.5011940127  -0.2530365648
*