! 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  -5.2966133062   1.1798889759  -0.4879696060
F   -0.0295638045  -0.7283854527   1.7296269341
F   -1.9288748086  -1.5638504183   2.2834505671
F   -0.7081197565  -2.5556058170   0.8217922422
O    2.1810359239   1.1670542544   0.7520588431
N    2.4812285821  -0.7916170650  -1.2368594220
N    0.2122330880  -0.7870411156  -1.2375621738
N    3.8588574435  -2.4152046820  -1.8078585874
C    1.2687424634  -0.1541173412  -0.9654483391
C    1.3628158814   1.2289064416  -0.3773217740
C    2.3043997440   2.4086544739   1.4155955286
C   -1.0597955328  -0.2742375910  -1.0130519143
C    3.3114422972   2.2721626772   2.5370673414
C   -1.7702581755  -0.5615402119   0.1588657372
C   -1.6885817766   0.4619820059  -2.0141393576
C   -3.0724961357  -0.1075767403   0.3186090836
C    3.7462271970  -0.2383008428  -1.2777289586
C    3.4358861305   3.5631026085   3.3313599039
C    2.6225571597  -2.1119931964  -1.5697105237
C   -1.1130664799  -1.3539151345   1.2472363705
C   -2.9860293832   0.9137174434  -1.8588777207
C   -3.6708235484   0.6254455601  -0.6901785235
C    4.5706807502  -1.2524103957  -1.6337336639
H    0.3550739491   1.5868008320  -0.1367141443
H    1.7589374077   1.9151869993  -1.1417340437
H    1.3295568964   2.7228817944   1.8143051322
H    2.6277072692   3.1886314671   0.7115442743
H    3.0083268922   1.4582562825   3.2009530143
H    4.2832865520   1.9968628117   2.1193070850
H   -1.1542676022   0.6725947150  -2.9310305875
H   -3.6259186208  -0.3191190828   1.2225920806
H    3.9500334803   0.7960706361  -1.0683933621
H    4.1815812154   3.4664105031   4.1207287055
H    3.7385945807   4.3987386895   2.6974588854
H    2.4911506523   3.8340085947   3.8060328582
H    1.7799108358  -2.7828323154  -1.6068956670
H   -3.4542221320   1.4845933591  -2.6490415835
H    5.6390609140  -1.2118917324  -1.7757160466
*