! 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  -5.0639643877   1.4846484618  -0.3896115781
F   -0.1741555342  -1.5033965083   1.6316099243
F   -2.1995161571  -2.1924359803   1.7969328251
F   -0.9686156456  -2.8734023540   0.1765102853
O    2.6335888898   1.6811275028   0.4613375159
N    2.6609178918  -0.6761121747  -1.1243677048
N    0.4004981131  -0.6305357548  -1.0366107092
N    4.7654447338  -1.1037750210  -1.6229995813
C    1.4732469917   0.0210026799  -0.8920583052
C    1.6040727486   1.4675071439  -0.4518257841
C    2.4596225687   1.0863520710   1.7430289765
C   -0.8603641403  -0.0841304804  -0.8569500251
C    2.6492304940   2.1219705115   2.8309875564
C   -1.7337162734  -0.6508011532   0.0811611043
C   -1.3273709299   0.9542659691  -1.6603804917
C   -3.0218002428  -0.1587181219   0.2296008193
C    2.7723586789  -2.0493952533  -1.2140403692
C    1.5798977280   3.2025988004   2.8270710327
C    3.9046254875  -0.1648354699  -1.3862888584
C   -1.2699614339  -1.8030731038   0.9201580028
C   -2.6159224174   1.4388684023  -1.5252572936
C   -3.4532421909   0.8831601487  -0.5736223971
C    4.0720553297  -2.2857621936  -1.5114350541
H    0.6353550728   1.7916590538  -0.0548891325
H    1.8077587341   2.0927003991  -1.3259114388
H    3.1853583818   0.2753782701   1.8584976157
H    1.4633225257   0.6392262954   1.8352551839
H    2.6406154626   1.5941129564   3.7880318700
H    3.6426644386   2.5692171405   2.7393431992
H   -0.6804092006   1.3764195939  -2.4185435545
H   -3.6963175260  -0.5809974030   0.9608025144
H    1.9354165438  -2.7035235259  -1.0443317491
H    1.7394045588   3.9156357862   3.6366649614
H    1.5769292669   3.7679028331   1.8942077414
H    0.5840338687   2.7748950270   2.9603873578
H    4.1141981547   0.8915166669  -1.4036288429
H   -2.9564364112   2.2452382379  -2.1603673333
H    4.5537159551  -3.2411143895  -1.6478747364
*