! 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  -5.2744467864   1.2222066222  -0.4267062417
F   -1.8890962782  -1.4432289287   2.4063031083
F   -0.7146843913  -2.5226847873   0.9686564753
F    0.0099276591  -0.6638631507   1.7724854984
O    2.2337936307   1.1864364750   0.6045761987
N    2.4516431598  -0.8959028971  -1.2576936871
N    0.1847072400  -0.8750715981  -1.1913461490
N    3.7960035626  -2.5685541714  -1.7626968312
C    1.2521680840  -0.2332099944  -0.9917087891
C    1.3682607950   1.1823024318  -0.4904389521
C    2.3328231551   2.4480931872   1.2332638531
C   -1.0760108747  -0.3348417781  -0.9687153727
C    3.3292743826   2.3512048435   2.3688401670
C   -1.7639116227  -0.5489175232   0.2318369043
C   -1.7171150884   0.3550240027  -1.9947316716
C   -3.0551841594  -0.0658876133   0.3963519655
C    3.7208567544  -0.3613550291  -1.3666779431
C    3.4621088611   3.6706648731   3.1143270885
C    2.5698311939  -2.2363115086  -1.5117020952
C   -1.0931099656  -1.2957156777   1.3442360793
C   -3.0036853314   0.8357947834  -1.8348936725
C   -3.6650785886   0.6236810169  -0.6367212012
C    4.5240527125  -1.4056786148  -1.6828516164
H    0.3712281185   1.5510396630  -0.2252277163
H    1.7278468318   1.8229262893  -1.3091038347
H    1.3498227299   2.7598479663   1.6137318829
H    2.6533138111   3.2126287866   0.5115068083
H    3.0135170116   1.5658859971   3.0611549171
H    4.3025604069   2.0513589996   1.9701601424
H   -1.2010881368   0.5056647244  -2.9337573085
H   -3.5901646463  -0.2197671657   1.3230345203
H    3.9414292725   0.6813075061  -1.2247318452
H    4.1999125024   3.5938535228   3.9132918764
H    3.7811599058   4.4779730098   2.4519293594
H    2.5169961326   3.9718783605   3.5709519591
H    1.7196429350  -2.8979252301  -1.4847376188
H   -3.4822078128   1.3701433852  -2.6444681985
H    5.5886124524  -1.3874649955  -1.8555937376
*