! 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  -4.8645411235   1.8180959102  -0.2006851538
F   -2.4162496074  -2.2818328415   1.7313426712
F   -1.1797902215  -2.9627550703   0.1121920944
F   -0.3394477601  -1.7303192608   1.6609944140
O    2.4389903813   1.6215677790  -0.0071043461
N    2.5905614379  -1.1488623651  -0.8456286603
N    0.3566192851  -0.7964820785  -1.0227094942
N    4.6827487334  -1.8442213642  -0.8785245987
C    1.4404490425  -0.4517597524  -0.4771477333
C    1.6149959337   0.6363892880   0.5516841614
C    2.9005417239   2.5837349013   0.9250600979
C   -0.8473394615  -0.1488330111  -0.7713675317
C    1.8245301155   3.5351376748   1.4213692255
C   -1.7811898795  -0.6848160985   0.1227696834
C   -1.1789703365   1.0044289494  -1.4775600145
C   -3.0159260012  -0.0754826269   0.2979877921
C    2.6549965419  -2.1555826758  -1.7884516579
C    2.4186182469   4.5962617699   2.3357184515
C    3.8539125736  -1.0112261377  -0.3347226977
C   -1.4347488504  -1.9158957068   0.9026741085
C   -2.4082251453   1.6145522929  -1.3045456028
C   -3.3211454586   1.0678244045  -0.4183876204
C    3.9461879365  -2.5636056346  -1.7898064177
H    2.0486321510   0.2074584530   1.4663122405
H    0.6297769865   1.0241232245   0.8251447298
H    3.6792997287   3.1453743803   0.4044711960
H    3.3792592486   2.0823689115   1.7784355140
H    1.3387442001   4.0092669165   0.5642720994
H    1.0479045556   2.9888712587   1.9642519887
H   -0.4690387818   1.4211781102  -2.1795498850
H   -3.7409143838  -0.4808000523   0.9892601381
H    1.7950819699  -2.4747007462  -2.3500534212
H    1.6508370768   5.2857004248   2.6870444286
H    2.8851162921   4.1512916444   3.2167780681
H    3.1797311747   5.1868478307   1.8223254425
H    4.1046486120  -0.2951013324   0.4298839332
H   -2.6464282436   2.5109114761  -1.8608755062
H    4.3920030842  -3.3374401692  -2.3946641453
*