! 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  -1.1667648711  -0.0364809501   2.6176347267
F    5.5310940355  -0.0652292836  -1.8602900952
F    5.3323766629  -1.1950297361  -0.0469536184
F    3.8490361771  -1.3714298358  -1.5970170284
F   -6.1250948445   1.0321926626   0.2593086747
F   -4.6959566261   2.4800844613  -0.4290012790
F   -5.4883716703   1.0171563351  -1.7950216969
O    2.5315274695  -1.8026651253   1.0965205413
N    0.9030721581  -1.1686866098  -0.3401827743
N   -2.7501441057  -1.7384306910  -0.5823977542
C   -0.8948783586  -2.5255477254   0.7121462975
C    0.1980336548  -2.4309025409  -0.3525910595
C   -1.9712604894  -1.5130419481   0.4710335653
C    2.6161394015   0.4062953257   0.2335610783
C    2.0219952082  -0.9675613559   0.3675395407
C    3.8668366432   0.6270022736  -0.3483463844
C   -2.1609190074  -0.3665402575   1.2435072762
C   -3.9532847901   0.2687606424  -0.1823624173
C   -3.1601620384   0.5327905612   0.9221205783
C    1.9253773832   1.4782203564   0.7831793547
C    4.4065861145   1.9063230255  -0.3639307785
C   -3.7075935680  -0.8885086728  -0.9061306412
C    4.6435366923  -0.5016515239  -0.9602635412
C    2.4742459632   2.7519538482   0.7796685367
C    3.7162734510   2.9651418760   0.2069805562
C   -5.0657250333   1.1997746617  -0.5425971770
H   -1.3396680892  -3.5205780145   0.6490469572
H   -0.4558445223  -2.4323216648   1.7036271212
H    0.9109019278  -3.2413694818  -0.2063923922
H   -0.2387885385  -2.5608882641  -1.3422521802
H    0.5811500208  -0.4350721265  -0.9509045912
H   -3.3053531296   1.4194187225   1.5254295413
H    0.9568885958   1.3167204776   1.2380036930
H    5.3697990374   2.0949360505  -0.8176759618
H   -4.2980826610  -1.1481564890  -1.7761619847
H    1.9280217955   3.5736432353   1.2231140875
H    4.1514801888   3.9551168008   0.1955694055
*