! 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  -5.3260441201   1.0279436481   0.7361154245
F   -0.0441297541  -0.1896466635  -1.9199923460
F   -0.7756148207  -2.1908298060  -1.6257233004
F   -1.9497747828  -0.7686909279  -2.7247672076
O    2.2341356322   1.3506467093  -0.2586039210
N    2.4236111333  -1.1809835423   0.9099991486
N    0.1581219281  -1.1349859437   0.8682695444
N    4.5541457642  -1.6530366060   1.2228396010
C    1.2274451455  -0.4665203124   0.8507865876
C    1.3462374215   1.0329131475   0.7705326399
C    2.4474132474   2.7413168605  -0.3938150480
C   -1.1026539760  -0.5549124110   0.8119995880
C    3.5496443114   2.9800434299  -1.4032959577
C   -1.8098739603  -0.4715834576  -0.3935765914
C   -1.7267161041  -0.1368435369   1.9848423270
C   -3.1081181257   0.0194507280  -0.4143207534
C    2.5481052283  -2.5485619416   0.7664370434
C    3.7781535436   4.4667886782  -1.6297169773
C    3.6767894474  -0.7014306393   1.1863296050
C   -1.1489483411  -0.9071286051  -1.6654264175
C   -3.0194104731   0.3540515174   1.9676730722
C   -3.7040012575   0.4261697969   0.7660647144
C    3.8629139394  -2.8111921578   0.9556003479
H    1.6881434046   1.4149919438   1.7444300899
H    0.3519619253   1.4627536374   0.6041310838
H    2.7249088110   3.1796859754   0.5752327411
H    1.5207879793   3.2373545345  -0.7149046427
H    4.4720308321   2.5122198189  -1.0487104279
H    3.2905397592   2.4968577177  -2.3490669879
H   -1.1943457062  -0.2104092840   2.9239190206
H   -3.6588560680   0.0888858569  -1.3417542451
H    1.7090589148  -3.1809928820   0.5363648274
H    2.8866223564   4.9523083986  -2.0308953230
H    4.0439248132   4.9784018833  -0.7026277274
H    4.5889547503   4.6351819044  -2.3385693300
H    3.8819216266   0.3412447376   1.3618793144
H   -3.4850901902   0.6751708262   2.8894482049
H    4.3569668093  -3.7689754598   0.9117218499
*