! 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  -1.6762187368  -0.3116986170  -2.5316029985
Cl  -4.7562321016   3.1328291687   0.1447630769
F    4.0103952314   0.8329155769  -1.1416851072
F    4.0092620441   1.2660175055   0.9719684267
F    6.0864728106  -0.2908893108   0.1644417448
F    4.6967809253  -1.7953179849  -0.5970317213
O    2.5928441181  -0.2711868341   0.1798145787
N   -1.0893572097  -2.1538800451   0.8534062428
N   -2.2047997085  -1.8557378200   1.5216736869
N   -2.5604652532  -3.5765156442   0.1348989406
C    0.2205895586  -0.2716898801  -0.0483963198
C    0.1201549100  -1.3793791242   1.0090911723
C    1.4520768597   0.5985686894   0.1633062722
C   -1.0171175872   0.5918016211  -0.0449547085
C   -1.9288735786   0.6278823294  -1.0961520082
C   -1.3157008880   1.3706035495   1.0717506325
C    3.8097369243   0.2687142400   0.0750511486
C   -3.0796779693   1.4027135677  -1.0510312189
C   -2.4491589652   2.1577203627   1.1473522860
C   -1.3171965951  -3.1753036183   0.0244519562
C   -3.3265962805   2.1640512664   0.0760493394
C    4.8536410591  -0.8195037149   0.3244534529
C   -3.0580268405  -2.7339130855   1.0609329130
H    0.3255723959  -0.7531240084  -1.0220583263
H    0.9661929131  -2.0594841436   0.9286633630
H    0.1220946511  -0.9720469780   2.0195898936
H    1.5223851475   1.3263820031  -0.6474322747
H    1.3987494738   1.1403231266   1.1095440457
H   -0.6509400658   1.3603273556   1.9263373841
H   -3.7697633558   1.4073219597  -1.8832555214
H   -2.6445012852   2.7478762929   2.0317335751
H   -0.5569575289  -3.5904229291  -0.6192179062
H    4.7657766605  -1.2442299729   1.3248876479
H   -4.0777289652  -2.7739756969   1.4117553036
*