III.G.1.a.

Compare Calculated Bonds for F-H

B3PW91/aug-cc-pVDZ

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.

	5
	4
	3
	2
	1
	0
		0.92			0.93			0.94
bond lengths (Å)

Summary: (Å)

Average bond length	Standard deviation
0.923	0.000

	Species	Name	Bond Length (Å)
Lowest value	HF-	hydrogen fluoride anion	0.923
Highest value	HF-	hydrogen fluoride anion	0.923

Calculated Bond lengths
Click on entry for all calculated results.

Species	Name	Bond Length (Å)	Atom1 index	Atom2 index
HF-	hydrogen fluoride anion	0.923	1	2
HF	Hydrogen fluoride	0.923	1	2
HF+	hydrogen fluoride cation	0.923	1	2
DF	Hydrofluoric acid-d	0.923	1	2