! 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  -1.4912518011   1.1784632982  -2.9566277619
Cl  -5.0634967435   2.7303081099   0.7008525912
F    3.7642724576   0.5639231978   1.6714937104
F    3.1756108092  -1.5095405601   1.5506760795
F    5.1338170495   0.3235997427  -0.7082459085
F    4.5229524559  -1.7703104464  -0.8344714316
O    2.5185790159  -0.1039337885  -0.0559816448
N   -0.6772607424  -2.0590265646   0.0263264335
N   -2.0101552234  -2.1212743052   0.0480207295
N   -1.1506332491  -3.2362019210   1.7878961229
C    0.2350760548   0.1671256371  -0.6257066001
C    0.0203534670  -1.3113022249  -0.9919848123
C    1.2678270501   0.3578416027   0.4754991654
C   -1.0721637960   0.8395245537  -0.2909841037
C   -1.9289051998   1.3116650586  -1.2843224177
C   -1.5097706156   0.9703613179   1.0245353852
C    3.4960732263  -0.4281285164   0.7877412001
C   -3.1520926641   1.8950053004  -0.9966626953
C   -2.7264706906   1.5465596195   1.3469592342
C   -0.1784164590  -2.7274031776   1.0715548458
C   -3.5399212670   2.0063125140   0.3270353481
C    4.7765579248  -0.7564567613   0.0205850904
C   -2.2489502988  -2.8358163074   1.1173784021
H    0.6486598897   0.6372720926  -1.5220938376
H   -0.5632647442  -1.3867750000  -1.9069745550
H    0.9763329507  -1.7966798134  -1.1850242384
H    1.3497396012   1.4160549496   0.7307241349
H    1.0107581725  -0.1910202547   1.3840011053
H   -0.8964463103   0.6110075630   1.8401572854
H   -3.7888498745   2.2545683496  -1.7929667955
H   -3.0308538535   1.6286588719   2.3810409492
H    0.8792787179  -2.8250383356   1.2597683640
H    5.5930127479  -1.0338628544   0.6890270860
H   -3.2531954454  -3.0829547854   1.4245430623
*