! 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  -4.6918452191   1.9295352361  -0.2429613429
F   -1.0972854560  -2.9515471494  -0.4176053080
F   -0.5086132792  -2.0622544437   1.4504832358
F   -2.5654511193  -2.5760454263   1.1027749514
O    2.4610420272   1.4856606270   0.8181515845
N    2.7541369927  -1.0827882350  -0.4968189658
N    0.5621185686  -0.6671458938  -0.9102347698
N    4.8478968972  -1.7656376808  -0.3880081463
C    1.5579812101  -0.4503486373  -0.1656231636
C    1.5773115526   0.4248922395   1.0617734875
C    2.3473695579   2.5430691381   1.7587458034
C   -0.6646506803  -0.0469858179  -0.7017467612
C    1.2184617159   3.5070390655   1.4345271834
C   -1.7110399640  -0.7086070958  -0.0491655688
C   -0.8926375450   1.2274821120  -1.2141652872
C   -2.9491446032  -0.0972470047   0.0921132657
C    2.9533057305  -1.9136748460  -1.5817975329
C    1.3619012419   4.1595183891   0.0686069996
C    3.9431774003  -1.0368991783   0.1833290481
C   -1.4757524361  -2.0749407547   0.5173453753
C   -2.1242887157   1.8406486184  -1.0745479912
C   -3.1460273460   1.1724466253  -0.4209443351
C    4.2426800825  -2.3171236482  -1.4926169982
H    1.8833320073  -0.1670099015   1.9352132073
H    0.5587101855   0.7695283141   1.2598608105
H    3.3033253440   3.0712282495   1.7331812736
H    2.2284976703   2.1418832534   2.7729090883
H    0.2489875096   3.0059599185   1.5130470069
H    1.2182071483   4.2735910963   2.2143380475
H   -0.0962884004   1.7376570286  -1.7390393179
H   -3.7598810537  -0.5990252815   0.6012292105
H    2.1747790302  -2.1326257654  -2.2908382535
H    2.2917579932   4.7277927054  -0.0030676450
H    1.3659720506   3.4232232906  -0.7356464788
H    0.5402441011   4.8496865510  -0.1260684328
H    4.0851699734  -0.4542765428   1.0783074808
H   -2.2799160048   2.8330941836  -1.4753921087
H    4.7740239234  -2.9778322737  -2.1594104540
*