! 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  -1.4470761314   0.2021219158  -2.9829687933
Cl  -2.6066416397   3.7467032382   0.8432109549
F    3.7937751904   0.4660550471  -1.3176193304
F    2.0556450374   1.5501109367  -0.6397264142
F    4.4667710753  -0.1249917591   1.2777932620
F    2.6994392149   0.9495803259   1.9828973094
O    2.2201971612  -0.6322323290  -0.1814568473
N   -1.3277193886  -2.8028686052   0.6979138255
N   -1.6848817633  -2.5826149112   1.9640293881
N   -3.4280065683  -3.3394577319   0.7833051686
C    0.0318420841  -1.4168950845  -0.8271821097
C    0.0119597070  -2.5231923132   0.2291450435
C    1.4580409689  -1.1384712581  -1.2855939032
C   -0.6576247119  -0.1450041075  -0.4010704192
C   -1.3373943999   0.6612065429  -1.3123568160
C   -0.5915018872   0.3148697913   0.9118167506
C    2.8757817832   0.5189845059  -0.3164607517
C   -1.9420145380   1.8540432815  -0.9483018796
C   -1.1820323619   1.5017497486   1.3090809489
C   -2.3761717105  -3.2510819889   0.0045347011
C   -1.8564047866   2.2624943499   0.3704275884
C    3.6022767517   0.8709245080   0.9808173511
C   -2.9500487541  -2.9169419861   1.9691092582
H   -0.4699657908  -1.8155177184  -1.7127575425
H    0.4338591186  -3.4306040231  -0.2046079638
H    0.6081692620  -2.2829664064   1.1062723301
H    1.9365847055  -2.0595286386  -1.6229456641
H    1.4474104796  -0.4466665026  -2.1290976548
H   -0.0750789036  -0.2644328192   1.6634661336
H   -2.4672833000   2.4498171977  -1.6817782013
H   -1.1126893114   1.8235268571   2.3387973731
H   -2.3281663457  -3.5050241761  -1.0432197251
H    4.1443434650   1.8147519493   0.9025165454
H   -3.5502780026  -2.8580205271   2.8637773404
*