! 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  -6.0590896597  -4.4235896722  -0.1328886811
F    0.4026533124  -1.7249545260   1.7842741593
F    1.8484748413  -1.9153536834   0.2291800460
F    2.1294955505  -0.4873743173   1.8344770948
O    3.3520556857   0.2619138900  -0.4033242501
O   -3.0919547963   0.6080241282  -0.5343789447
N    4.2566791674   2.8176111353   0.5565048951
N    4.5845856206   3.9981787816   0.0247053100
N    6.4181181173   2.9172805480   0.7155844735
C    2.5591159845   1.4063605576  -0.5833795261
C    1.0577195889   1.0917586108  -0.4982721411
C    2.8896078394   2.3579797511   0.5804833938
C    2.9268234683   2.0480930424  -1.9248033419
C    0.4699949798   0.0190956109   0.1977424542
C    0.1858267566   1.9716657003  -1.1408539571
C   -0.9135432327  -0.1599847889   0.1768410587
C   -1.1834847768   1.8008798273  -1.1646754304
C   -1.7361648531   0.7141310050  -0.5127550862
C    1.2308667307  -1.0143455614   1.0006437291
C    5.3595547700   2.1815812472   0.9584378523
C    5.8872876296   4.0156484545   0.1435684967
C   -3.7204931641  -0.6015903445  -0.4330924570
C   -4.8616825709  -0.6516114982   0.3535969274
C   -3.2992282171  -1.7228306541  -1.1361009698
C   -5.5897613944  -1.8272170695   0.4411859003
C   -4.0189523844  -2.9030293620  -1.0368512045
C   -5.1589962176  -2.9484865376  -0.2496645062
H    2.2509590910   3.2382593829   0.5410938720
H    2.7073905424   1.8683169480   1.5353156135
H    2.5466411758   1.4501770084  -2.7551922213
H    2.5528660445   3.0624375412  -2.0450350826
H    4.0111625780   2.0975725717  -2.0232379139
H    0.5799674345   2.8299336070  -1.6649814974
H   -1.3616855689  -0.9831734863   0.7136811363
H    3.4294624636  -0.2006453955  -1.2448253436
H   -1.8147442283   2.5078885297  -1.6873847645
H    5.3447214298   1.2083848352   1.4224832396
H    6.4774191223   4.8554729892  -0.1898474640
H   -5.1885778103   0.2291533723   0.8911133809
H   -2.4204283486  -1.6916706303  -1.7674029919
H   -6.4819502480  -1.8622602961   1.0513963858
H   -3.6896769270  -3.7772518522  -1.5816174754
*