! 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  -0.5298702415   0.7099894695  -2.5274161211
Cl  -4.9153728611   2.8428031345  -0.3439649996
F    3.2589425748   0.4126440524  -1.4264770279
F    4.0781190863   1.5871837456   0.1882619021
F    4.3269975826  -1.8619476360  -0.3997161826
F    5.0995938003  -0.7586457877   1.3204381592
O    2.5960976381  -0.0075951881   0.6668216903
N   -1.0045279395  -2.1846827759   1.1839211158
N   -1.2648236220  -2.7538448689   0.0083670821
N   -2.8430877549  -3.2884079017   1.5028194250
C    0.2272022507  -0.2483873904   0.2957088275
C    0.1484155299  -1.3357109443   1.3693025512
C    1.3633139971   0.7245465257   0.5953694773
C   -1.0533759852   0.5330198931   0.1366330618
C   -1.4816942845   0.9955881073  -1.1072398703
C   -1.8521912099   0.8509780714   1.2318204162
C    3.6112720721   0.3483518128  -0.1174848537
C   -2.6605453030   1.7062155847  -1.2691649098
C   -3.0352624846   1.5590824997   1.1053694829
C   -1.9523649436  -2.5069677760   2.0654699378
C   -3.4336999417   1.9737282627  -0.1532847553
C    4.7598962821  -0.6515907793   0.0172880960
C   -2.3759238292  -3.4048313324   0.2460696102
H    0.4494636111  -0.7448239083  -0.6505867797
H    1.0481886377  -1.9493549813   1.3345900459
H    0.0863599549  -0.9172301405   2.3736941574
H    1.3968084185   1.5053368060  -0.1658383649
H    1.2155848840   1.2133870337   1.5603595675
H   -1.5542419222   0.5433002239   2.2255993210
H   -2.9684582903   2.0403989823  -2.2502317308
H   -3.6340162796   1.7763651654   1.9786200087
H   -1.9473438668  -2.1583445903   3.0866204299
H    5.6329084772  -0.3543901430  -0.5654253736
H   -2.8676637211  -3.9873333969  -0.5175266536
*