! 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  -0.4762953452   0.4594030741  -2.1867629743
F    5.1328425259  -0.5802194133  -0.3182539443
O   -0.4474901929   0.0176541431   2.3272625625
N   -3.3375833938  -1.9919262506  -0.3768271178
N   -1.7678289268  -3.5148907409   0.4992775408
C   -0.3471300963  -0.0511978712   0.9194472093
C    1.1242504634  -0.2456553555   0.5367667411
C   -0.8002250281   1.3131020073   0.3944652643
C   -1.2651778575  -1.1827273829   0.4734653296
C    2.0611394817   0.5813664817   1.1572688315
C    1.5795143505  -1.1826618417  -0.3828691959
C   -0.8452978412   1.6332412937  -0.9643202939
C   -1.1495964173   2.3229247325   1.2898259860
C   -2.5144098339  -0.9900120242  -0.0984843827
C   -0.9568635448  -2.5045930920   0.7754503278
C    3.4122587228   0.4791841076   0.8746014270
C    2.9312863984  -1.3057264575  -0.6747689634
C   -1.2062841164   2.8961116475  -1.4094445580
C   -1.5115538321   3.5896427980   0.8577274288
C    3.8252194074  -0.4707983338  -0.0397093739
C   -1.5371174557   3.8815838725  -0.4950871976
C   -2.9193812978  -3.2086809609  -0.0756513400
H    1.7418565894   1.3285571155   1.8724430156
H    0.8920646346  -1.8350191898  -0.9023425043
H   -1.1362897401   2.1233188076   2.3504773516
H    0.0001565554  -0.7444702504   2.7123889954
H   -2.8809332318   0.0026190211  -0.3342471476
H   -0.0201924080  -2.7687272596   1.2566553993
H    4.1301727273   1.1280788425   1.3590176796
H    3.2743965335  -2.0407613687  -1.3909192154
H   -1.2284028701   3.1056526730  -2.4703383267
H   -1.7721632637   4.3455803629   1.5864312920
H   -1.8153178982   4.8665732966  -0.8451937856
H   -3.5859715123  -4.0306009014  -0.3088402940
*