! 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  -0.3557443479   0.5146166004  -2.0243179368
Cl  -3.3076631052   3.4362719094   1.3318721459
F    4.3672620289  -0.6857441243   0.3440120969
F    2.9328322311  -0.6831935078  -1.2642670396
F    2.6946090911   2.0756871680  -1.0303530224
F    4.7044097293   1.3279844224  -1.4482755191
O    2.3045294604   0.0627730832   0.7499865167
N   -1.6458169878  -2.7720093587   0.2624639555
N   -2.7797912269  -2.5374974640   0.9243278630
N   -3.2142007264  -3.0765437370  -1.2039383473
C    0.3179365007  -1.2979704462   0.4243581751
C   -0.3553938955  -2.5946964594   0.8858586172
C    1.6471745255  -1.1443055474   1.1543889950
C   -0.5706470323  -0.0958107066   0.6236484297
C   -0.9333696479   0.7636743370  -0.4089664484
C   -1.0767839319   0.1920802981   1.8893867458
C    3.2925347512  -0.0107951455  -0.1433884786
C   -1.7741764140   1.8496087773  -0.2054488825
C   -1.9088335271   1.2696153912   2.1287215285
C   -1.9180044178  -3.0861372441  -1.0060792651
C   -2.2558171480   2.0897589144   1.0675719596
C    3.7409021041   1.4051429365  -0.5032193166
C   -3.6926048993  -2.7334644344   0.0074901489
H    0.5318427480  -1.4181898075  -0.6376150973
H    0.2769319578  -3.4465029277   0.6346942702
H   -0.5139925520  -2.6161931709   1.9627441659
H    1.4979721059  -1.0520320437   2.2306897377
H    2.2757743341  -2.0228309442   0.9918089044
H   -0.8202566977  -0.4463873873   2.7257503457
H   -2.0441448870   2.4950344967  -1.0295915706
H   -2.2833244165   1.4592416209   3.1249837759
H   -1.1559302308  -3.3200629017  -1.7335279168
H    4.1228556557   1.9451645978   0.3638138341
H   -4.7450595131  -2.6298739683   0.2216296036
*