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III.G.1.a.

Compare Calculated Bonds for F-H

PBEPBE/6-311G*

Histogram of Bond lengths (in Å) vs number of species


Values greater than 1.70 are in the 1.70 bin. Values less than 0.90 are in the 0.90 bin.

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0.90 1.00 1.10 1.20 1.30 1.40 1.50 1.60 1.70
bond lengths (Å)

Summary: (Å)
Average bond length Standard deviation
1.113 0.221

  Species Name Bond Length (Å)
Lowest value HF- hydrogen fluoride anion 0.933
Highest value HF- hydrogen fluoride anion 1.565

Calculated Bond lengths
Click on entry for all calculated results.
Species Name Bond Length (Å) Atom1 index Atom2 index
HF- hydrogen fluoride anion 1.565 1 2
HF Hydrogen fluoride 1.565 1 2
HF+ hydrogen fluoride cation 1.565 1 2
HF- hydrogen fluoride anion 0.933 1 2
HF Hydrogen fluoride 0.933 1 2
HF+ hydrogen fluoride cation 0.933 1 2
HF- hydrogen fluoride anion 1.026 1 2
HF Hydrogen fluoride 1.026 1 2
HF+ hydrogen fluoride cation 1.026 1 2
H2F+ dihydrogen fluoride cation 0.975 1 2
    0.975 1 3
DF Hydrofluoric acid-d 0.933 1 2
FHF- FHF- 1.172 1 2
FHF FHF 1.172 1 2
FHF- FHF- 1.172 1 3
FHF FHF 1.172 1 3
H2F2 Hydrogen fluoride dimer 0.941 1 4
    0.941 2 3