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III.G.1.a.

Compare Calculated Bonds for F-H

CCSD/6-31+G**

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


Values greater than 0.94 are in the 0.94 bin. Values less than 0.92 are in the 0.92 bin.

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0.92 0.93 0.94
bond lengths (Å)

Summary: (Å)
Average bond length Standard deviation
0.924 0.000

  Species Name Bond Length (Å)
Lowest value HF- hydrogen fluoride anion 0.924
Highest value HF- hydrogen fluoride anion 0.924

Calculated Bond lengths
Click on entry for all calculated results.
Species Name Bond Length (Å) Atom1 index Atom2 index
HF- hydrogen fluoride anion 0.924 1 2
HF Hydrogen fluoride 0.924 1 2
HF+ hydrogen fluoride cation 0.924 1 2
DF Hydrofluoric acid-d 0.924 1 2