! 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  -4.9767072991   1.6082780365  -0.5225731118
F   -0.2035327388  -1.3472038568   1.7389576365
F   -2.2292304738  -2.0500423517   1.8288249876
F   -0.9163928018  -2.7743658730   0.2946209871
O    2.7177152129   1.7248101045   0.4793394164
N    2.7305051819  -0.6708934900  -1.0611493515
N    0.4698779563  -0.6008909822  -0.9848338813
N    4.8326789057  -1.1240950331  -1.5484461815
C    1.5495219727   0.0404415847  -0.8419888622
C    1.6857377906   1.4949149391  -0.4299326772
C    2.5781917241   1.1258527492   1.7624625945
C   -0.7861042302  -0.0332977365  -0.8432763916
C    2.0507448916   2.0841062809   2.8134023323
C   -1.6905170343  -0.5597659451   0.0895011907
C   -1.2200048602   0.9873238466  -1.6876028930
C   -2.9742384720  -0.0450826972   0.1921416914
C    2.8188656170  -2.0436101412  -1.1860385541
C    0.6196440466   2.5543614934   2.5982825593
C    3.9873105327  -0.1760722752  -1.2949675991
C   -1.2611729118  -1.6823696376   0.9848313401
C   -2.5035216286   1.4943793151  -1.5973920158
C   -3.3717123523   0.9785717393  -0.6510731625
C    4.1173070724  -2.2958152837  -1.4742603545
H    0.7139606809   1.8294017031  -0.0547837789
H    1.8985810082   2.0976120074  -1.3174182736
H    3.5734319861   0.7815029514   2.0516536317
H    1.9420865929   0.2339002827   1.7179042889
H    2.1205133142   1.5634821098   3.7726419405
H    2.7209993818   2.9449221839   2.8864274306
H   -0.5490297445   1.3771888053  -2.4421906308
H   -3.6712223181  -0.4352219551   0.9201040332
H    1.9685258323  -2.6872351506  -1.0461284338
H    0.2745836543   3.1419283517   3.4499107454
H    0.5197844755   3.1888115338   1.7165787849
H   -0.0668798917   1.7119567506   2.4887376634
H    4.2175541033   0.8756974131  -1.2805929490
H   -2.8165741753   2.2863955090  -2.2639258005
H    4.5832198445  -3.2555869181  -1.6329343045
*