! 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  -4.7703545198   1.8542242489  -0.2895500570
F   -1.3058064723  -3.0765407601  -0.3824118184
F   -0.6514337474  -2.2213359727   1.4805504972
F   -2.7312500902  -2.6544686693   1.1651715193
O    2.3659084431   1.7642808144   0.0163366926
N    2.7007693460  -1.1157232299  -0.5718641658
N    0.4602284026  -0.8216164481  -0.7632617919
N    4.8277952650  -1.6895785963  -0.6610736035
C    1.5390308938  -0.4157261958  -0.2483279325
C    1.6996701119   0.7410186946   0.7047236356
C    2.7764577370   2.8427269302   0.8391441334
C   -0.7476520404  -0.1595737820  -0.5959298764
C    1.6375817465   3.7258147885   1.3198674678
C   -1.8276235300  -0.8142577959   0.0087871454
C   -0.9415866371   1.1218897737  -1.1076244574
C   -3.0616169302  -0.1896399344   0.1090964005
C    2.7721112053  -2.2327202479  -1.3798213235
C    2.1713349730   4.9167371531   2.1025737763
C    3.9816054817  -0.8394967475  -0.1731266058
C   -1.6306019554  -2.1914215470   0.5656187637
C   -2.1734797096   1.7447777904  -1.0175609070
C   -3.2262682833   1.0841027905  -0.4082457212
C    4.0844464149  -2.5657309515  -1.4160819961
H    2.2586607717   0.4084536423   1.5904695379
H    0.7108021044   1.0449184007   1.0595561756
H    3.4669939317   3.4289552926   0.2288722020
H    3.3467839524   2.4653472611   1.6996499427
H    1.0603555256   4.0724177835   0.4584106711
H    0.9508246576   3.1590534669   1.9547973458
H   -0.1201009233   1.6324529718  -1.5931628817
H   -3.8970977281  -0.6841377096   0.5842699818
H    1.9002883732  -2.6735914732  -1.8298366793
H    2.7369557723   4.5983591616   2.9805096129
H    2.8319822752   5.5342500641   1.4911155450
H    1.3585398297   5.5533604431   2.4522991810
H    4.2330621832  -0.0085031464   0.4647755449
H   -2.3035638799   2.7392574909  -1.4222152738
H    4.5409364414  -3.3900338112  -1.9409269469
*