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III.G.1.a.

Compare Calculated Bonds for F-H

CCSD(T)=FULL/6-31G*

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


Values greater than 1.16 are in the 1.16 bin. Values less than 0.92 are in the 0.92 bin.

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0.92 0.94 0.96 0.98 1.00 1.02 1.04 1.06 1.08 1.10 1.12 1.14 1.16
bond lengths (Å)

Summary: (Å)
Average bond length Standard deviation
1.039 0.091

  Species Name Bond Length (Å)
Lowest value HF- hydrogen fluoride anion 0.935
Highest value FHF- FHF- 1.148

Calculated Bond lengths
Click on entry for all calculated results.
Species Name Bond Length (Å) Atom1 index Atom2 index
HF- hydrogen fluoride anion 0.935 1 2
    1.032 1 2
HF Hydrogen fluoride 0.935 1 2
    1.032 1 2
HF+ hydrogen fluoride cation 0.935 1 2
    1.032 1 2
DF Hydrofluoric acid-d 0.935 1 2
FHF- FHF- 1.148 1 2
    1.148 1 3
FHF FHF 1.148 1 2
    1.148 1 3