! 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
F    2.4438206032   3.1044360586   1.8123712986
F    0.5878742793   2.3350537006   0.9525709672
F   -1.4043781719   1.8354960591  -2.5000332744
F   -3.5804643863   1.6594407965   1.6220799053
F   -2.7738074705   3.0645138579  -0.5321810722
O    0.5089794020  -0.7408893716   1.4243436101
N    0.8223915653  -1.9668032529  -0.4484390299
N    4.0680904723   0.7330778802  -0.8862315501
N    3.6528506509   1.6586755821  -0.0294694731
C   -1.5647336802  -2.3784481111  -0.1125680258
C   -0.2538079548  -2.8530520432  -0.2388244173
C    2.2560175923  -0.1023628856  -0.0052894647
C   -1.8879079864  -0.9414278134  -0.2347429403
C    2.5616044843   1.1709403569   0.5169067459
C    1.1283536978  -0.9511614983   0.3951660757
C    3.2682797823  -0.3375869428  -0.9142003069
C   -2.5837618112  -3.2995521053   0.1207183421
C    0.0062008730  -4.2164404194  -0.1727951721
C   -2.6071678213  -0.3080811261   0.7737918273
C   -1.4826219227  -0.2172400885  -1.3529977924
C   -2.3227090767  -4.6591881489   0.1885362768
C    1.7768578562   1.9620987083   1.5072591064
C   -1.0246636859  -5.1204615910   0.0275718267
C    5.2864973279   0.9248174412  -1.6407195473
C   -1.7827652481   1.1246807397  -1.4355124850
C   -2.8988004907   1.0335977935   0.6604183342
C   -2.4887247206   1.7672153807  -0.4361187663
H    1.4115034062  -2.1413382443  -1.2476169417
H    3.4833577133  -1.1804528285  -1.5525737412
H   -3.6020875755  -2.9453675095   0.2222029437
H    1.0268933280  -4.5655014605  -0.2671362159
H   -2.9189455322  -0.8456303230   1.6596527082
H   -0.9431639413  -0.6867984963  -2.1645038675
H    1.5689298595   1.4248654559   2.4303822176
H   -3.1337289203  -5.3552231076   0.3568387653
H   -0.8095877940  -6.1798383102   0.0733372289
H    6.0563557710   0.2300032940  -1.3101460177
H    5.0996855840   0.7760038594  -2.7017702926
H    5.6317373014   1.9412001947  -1.4809425587
*