! 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  -1.3078156367  -0.8753523779  -2.1560642127
F    4.1711670345  -1.0272593740   1.2688055090
F    5.1231191203  -1.2840766674  -0.6465120333
F    5.8392757961   0.2052181072   0.7198281052
F   -5.5805320125   1.6861934617  -0.4319975365
F   -5.8393314453   1.1558805082   1.6384848217
F   -4.3666504351   2.6176885131   1.0759417022
O    2.1900507280  -1.9870835752  -0.7630537490
N    0.9221963723  -0.9742908146   0.8095658821
N   -2.6844190269  -1.4250395743   1.5107429587
C   -0.9098402729  -2.6169455291   0.4240625454
C    0.2763369115  -2.1785019760   1.2839948561
C   -1.9722497363  -1.5633759822   0.3965965483
C    2.4274038172   0.3611581063  -0.4927659574
C    1.8452705900  -0.9837607208  -0.1609035029
C    3.7896315071   0.6405685127  -0.3508690538
C   -2.2081662020  -0.7200549817  -0.6898287222
C   -3.9022425479   0.3794603841   0.5616110980
C   -3.1786816441   0.2612588240  -0.6132244640
C    1.5897900568   1.3306214771  -1.0289983477
C    4.2890654016   1.8711640692  -0.7559311895
C   -3.6156494919  -0.4931981483   1.6013341265
C    4.7283415124  -0.3683587616   0.2443812698
C    2.0945172345   2.5542100964  -1.4439748549
C    3.4454430389   2.8228588012  -1.3098397585
C   -4.9274653656   1.4567719369   0.7112476735
H   -0.5684181351  -2.8805667928  -0.5748988198
H   -1.3297382947  -3.5202652480   0.8704482286
H   -0.0583488485  -1.9885982216   2.3027773098
H    1.0019980085  -2.9909701003   1.3300279432
H    0.7426285115  -0.1119792633   1.2987207022
H   -3.3577704955   0.9133074786  -1.4580886316
H    0.5339957688   1.1251246726  -1.1444498395
H    5.3385147807   2.1061067816  -0.6444051668
H   -4.1519476743  -0.4472661326   2.5415430756
H    1.4290575777   3.2931538398  -1.8697922845
H    3.8489939666   3.7746395465  -1.6275069328
*