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III.G.1.a.

Compare Calculated Bonds for F-H

PBEPBE/cc-pVQZ

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


Values greater than 1.14 are in the 1.14 bin. Values less than 1.02 are in the 1.02 bin.

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histogram chart 2 line histogram chart line line line line line line line line line line line line line line line line line line line line line line line line line line line line line line line line line line line histogram chart line
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1.02 1.03 1.04 1.05 1.06 1.07 1.08 1.09 1.10 1.11 1.12 1.13 1.14
bond lengths (Å)

Summary: (Å)
Average bond length Standard deviation
1.082 0.059

  Species Name Bond Length (Å)
Lowest value HF- hydrogen fluoride anion 1.023
Highest value HF- hydrogen fluoride anion 1.141

Calculated Bond lengths
Click on entry for all calculated results.
Species Name Bond Length (Å) Atom1 index Atom2 index
HF- hydrogen fluoride anion 1.141 1 2
    1.023 1 2
HF Hydrogen fluoride 1.141 1 2
    1.023 1 2
HF+ hydrogen fluoride cation 1.141 1 2
    1.023 1 2