! 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  -0.5414784194   0.2816039059   2.7636046064
Cl  -2.8690014990   3.5920548850  -0.7090948648
F    4.2311562307  -0.5944594998  -0.0641280816
F    2.5751233404  -0.3831952817  -1.4286683481
F    2.2756428111   2.2461393517  -0.7057697844
F    4.2713363033   1.7314873078  -1.4305506117
O    2.2280373053  -0.0622170698   0.7602906608
N   -1.7486077712  -2.8305065487   0.1272195202
N   -1.6931939916  -3.4230029050  -1.0657445198
N   -3.7948306727  -2.8172908230  -0.5898555896
C    0.2867347646  -1.4667603068   0.2364733947
C   -0.5511325996  -2.5724993307   0.8876007698
C    1.6186147969  -1.3369647915   0.9825998628
C   -0.4845660492  -0.1791705740   0.0719170735
C   -0.9048857157   0.6524370213   1.1073943152
C   -0.8422735496   0.2072298069  -1.2177054503
C    3.0735961242   0.0901807146  -0.2594221196
C   -1.6332303509   1.8099667502   0.8814657541
C   -1.5738019144   1.3523550524  -1.4805226088
C   -3.0032963576  -2.4653376802   0.3950431424
C   -1.9608873560   2.1500094435  -0.4190657948
C    3.4071632884   1.5744904700  -0.4025636844
C   -2.9425450475  -3.3974623673  -1.4557126065
H    0.5120914066  -1.8175304866  -0.7723127337
H    0.0269386414  -3.4954495582   0.9449140057
H   -0.8508386304  -2.3145736344   1.9015204472
H    1.4896528880  -1.4021337479   2.0604143647
H    2.2795296886  -2.1568500424   0.6932471906
H   -0.5415018872  -0.4150352186  -2.0508854577
H   -1.9385132416   2.4339760278   1.7099470858
H   -1.8309580453   1.6136578577  -2.4975044484
H   -3.2885748055  -1.9629791728   1.3064235069
H    3.8451963958   1.9853740662   0.5077522586
H   -3.2521106556  -3.8163792578  -2.4007691541
*