! 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  -1.4825915129  -0.1026055320  -2.8961012999
Cl  -2.5564610799   3.6932140230   0.7077320241
F    3.9502615489   0.1465778608  -1.2327183821
F    2.2513719828   1.3473728900  -0.6627029617
F    2.8484283842   0.8653021938   2.0226687198
F    4.4003993580   1.8578220618   0.8490400304
O    2.3158396131  -0.7974153240  -0.0421276430
N   -1.3794275500  -2.8479450185   0.7702902913
N   -2.2139561467  -3.3444279925  -0.1428710670
N   -3.3092257203  -2.9020454169   1.7580258285
C    0.1026719028  -1.5456689164  -0.6759173819
C    0.0015529031  -2.5822960716   0.4439024022
C    1.5423008903  -1.3399766302  -1.1220677505
C   -0.5704424107  -0.2396516754  -0.3350275690
C   -1.3087189649   0.4811603859  -1.2714119962
C   -0.4500201979   0.3251031385   0.9329319740
C    3.0238788912   0.3128860830  -0.2522855365
C   -1.9237421958   1.6862481357  -0.9678812408
C   -1.0486555104   1.5262841244   1.2695022700
C   -2.0448531644  -2.5814994681   1.8957281754
C   -1.7882727018   2.1960588651   0.3106167461
C    3.7556799256   0.6858887479   1.0370762300
C   -3.3576705195  -3.3611023150   0.4931467345
H   -0.3941262060  -1.9878811806  -1.5423178312
H    0.4712582755  -3.5117205520   0.1200637339
H    0.5022929701  -2.2731442855   1.3595412257
H    1.9906380142  -2.2947259025  -1.4024374956
H    1.5630545963  -0.6967851535  -2.0031325901
H    0.1253828337  -0.1792723173   1.6970237939
H   -2.4970327813   2.2137454436  -1.7174639321
H   -0.9355527946   1.9291632393   2.2662960445
H   -1.5729834980  -2.1703030984   2.7742702886
H    4.4720808582  -0.0805002206   1.3355079910
H   -4.2618359059  -3.7210504504   0.0269624382
*