! 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  -0.9302034502  -0.5019916454  -2.5446361564
Cl  -5.4044583588  -1.5812381020   0.2052025450
F    5.9448684634  -1.9828771647  -0.1520080418
O    0.8629579861  -2.1989590669  -0.2690025849
N    0.2962880442  -0.0409010018   0.1266697488
N    1.8979660784   1.6406755138   0.4849905194
N   -0.3358453852   2.1856272297   0.5574345338
N   -0.4647957234   2.8313740596   1.7245975801
N   -2.0126903194   3.5172977174   0.2567333596
C    2.6175824985  -0.6322276428   0.0451297106
C    0.6977426888   1.2485779790   0.3800617816
C    1.2313099408  -1.0662473069  -0.0606342112
C   -1.0781974111  -0.4119285430   0.1452732519
C    2.8965972708   0.7078979100   0.3330575913
C    3.6478689631  -1.5580669237  -0.1210031933
C    4.2276964025   1.1183931025   0.4564921186
C   -1.7511759820  -0.6731468686  -1.0421800994
C   -1.7488401249  -0.5255714145   1.3517200392
C    4.9396017256  -1.1150574497   0.0052864901
C    5.2491589356   0.2108011469   0.2938525264
C   -3.0859262396  -1.0378120224  -1.0331811126
C   -3.0863336886  -0.8787264004   1.3808350769
C   -1.2716666239   2.6098948829  -0.3123531478
C   -3.7392101296  -1.1344294701   0.1855513935
C   -1.4827210110   3.6132062794   1.4972249177
H    3.4349705031  -2.5954742444  -0.3433506263
H    4.4422920912   2.1547139169   0.6792187876
H   -1.2247814424  -0.3356405831   2.2788927090
H    6.2822973649   0.5185298176   0.3869912048
H   -3.6045011616  -1.2384002596  -1.9601913838
H   -3.6050898288  -0.9571814300   2.3256955398
H   -1.3506640893   2.2532782491  -1.3277465372
H   -1.8631116627   4.2816956087   2.2531916095
*