! 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  -0.9837009777   0.2476893055  -2.3016184539
Cl  -5.3309891941  -1.9009352858  -0.0079057871
F    5.9408934406  -2.0673676391  -0.2443522908
O    0.8827146634  -2.3361405971   0.1611604480
N    0.2985719455  -0.1531857959   0.3458540184
N    1.8971511603   1.5682654401   0.3379726527
N   -0.3018838009   2.1356628092   0.4943014977
N   -1.3965061274   2.0190199370   1.2614845828
N   -1.3104795358   4.0390673113   0.2940813133
C    2.6239618995  -0.7308493330   0.1441814274
C    0.6951184646   1.1589252470   0.4043170518
C    1.2427021198  -1.1827582937   0.2213569523
C   -1.0678014012  -0.5503463079   0.2715333175
C    2.8958675515   0.6394290604   0.1823392137
C    3.6521841766  -1.6629593155  -0.0013990941
C    4.2202399494   1.0766786708   0.0734810428
C   -1.7634476040  -0.4265483087  -0.9212473818
C   -1.6916216426  -1.1061004204   1.3747098853
C    4.9364801512  -1.1946423392  -0.1044910314
C    5.2394597978   0.1635946467  -0.0713975923
C   -3.0847402530  -0.8323903464  -1.0168468513
C   -3.0049685925  -1.5271317743   1.2992376533
C   -0.2620711241   3.3619173648  -0.0699587623
C   -3.6887167942  -1.3817011443   0.1008444129
C   -1.9680505043   3.1781040573   1.1082671929
H    3.4424303994  -2.7240426278  -0.0334801715
H    4.4320072096   2.1368693572   0.1037268947
H   -1.1479288161  -1.1987729014   2.3048858702
H    6.2669102681   0.4917812397  -0.1586191490
H   -3.6238712331  -0.7281805900  -1.9478412908
H   -3.4880035761  -1.9581393856   2.1647449373
H    0.5297799535   3.6830846028  -0.7271993206
H   -2.8948423777   3.4228854940   1.6024771960
*