III.G.1.a.

Compare Calculated Bonds for F-H

HF/aug-cc-pVTZ

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

Values greater than 1.12 are in the 1.12 bin. Values less than 0.88 are in the 0.88 bin.

	6
	5
	4
	3
	2
	1
	0
		0.88			0.90			0.92			0.94			0.96			0.98			1.00			1.02			1.04			1.06			1.08			1.10			1.12
bond lengths (Å)

Summary: (Å)

Average bond length	Standard deviation
0.982	0.090

	Species	Name	Bond Length (Å)
Lowest value	DF	Hydrofluoric acid-d	0.899
Highest value	FHF-	FHF-	1.123

Calculated Bond lengths
Click on entry for all calculated results.

Species	Name	Bond Length (Å)	Atom1 index	Atom2 index
HF-	hydrogen fluoride anion	0.899	1	2
HF	Hydrogen fluoride	0.899	1	2
HF+	hydrogen fluoride cation	0.899	1	2
HF-	hydrogen fluoride anion	0.982	1	2
HF	Hydrogen fluoride	0.982	1	2
HF+	hydrogen fluoride cation	0.982	1	2
H2F+	dihydrogen fluoride cation	0.943	1	2
		0.943	1	3
DF	Hydrofluoric acid-d	0.899	1	2
FHF-	FHF-	1.123	1	2
FHF	FHF	1.123	1	2
FHF-	FHF-	1.123	1	3
FHF	FHF	1.123	1	3
H2F2	Hydrogen fluoride dimer	0.903	1	4
		0.901	2	3