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III.G.1.a.

Compare Calculated Bonds for F-H

QCISD(T)/cc-pVTZ

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


Values greater than 1.40 are in the 1.40 bin. Values less than 0.90 are in the 0.90 bin.

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0.90 0.95 1.00 1.05 1.10 1.15 1.20 1.25 1.30 1.35 1.40
bond lengths (Å)

Summary: (Å)
Average bond length Standard deviation
1.083 0.147

  Species Name Bond Length (Å)
Lowest value HF- hydrogen fluoride anion 0.917
Highest value HF- hydrogen fluoride anion 1.315

Calculated Bond lengths
Click on entry for all calculated results.
Species Name Bond Length (Å) Atom1 index Atom2 index
HF- hydrogen fluoride anion 1.315 1 2
    0.917 1 2
    1.002 1 2
HF Hydrogen fluoride 1.315 1 2
    0.917 1 2
    1.002 1 2
HF+ hydrogen fluoride cation 1.315 1 2
    0.917 1 2
    1.002 1 2
DF Hydrofluoric acid-d 0.917 1 2
FHF- FHF- 1.135 1 2
FHF FHF 1.135 1 2
    1.135 1 3
FHF- FHF- 1.135 1 3