III.G.1.a.

Compare Calculated Bonds for F-H

QCISD/cc-pVTZ

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

Values greater than 1.40 are in the 1.40 bin. Values less than 0.90 are in the 0.90 bin.

	5
	4
	3
	2
	1
	0
		0.90			0.95			1.00			1.05			1.10			1.15			1.20			1.25			1.30			1.35			1.40
bond lengths (Å)

Summary: (Å)

Average bond length	Standard deviation
1.083	0.151

	Species	Name	Bond Length (Å)
Lowest value	DF	Hydrofluoric acid-d	0.915
Highest value	HF-	hydrogen fluoride anion	1.324

Calculated Bond lengths
Click on entry for all calculated results.

Species	Name	Bond Length (Å)	Atom1 index	Atom2 index
HF-	hydrogen fluoride anion	1.324	1	2
HF	Hydrogen fluoride	1.324	1	2
HF+	hydrogen fluoride cation	1.324	1	2
HF-	hydrogen fluoride anion	0.916	1	2
HF	Hydrogen fluoride	0.916	1	2
HF+	hydrogen fluoride cation	0.916	1	2
HF-	hydrogen fluoride anion	1.000	1	2
HF	Hydrogen fluoride	1.000	1	2
HF+	hydrogen fluoride cation	1.000	1	2
DF	Hydrofluoric acid-d	0.915	1	2
FHF-	FHF-	1.133	1	2
FHF	FHF	1.133	1	2
FHF-	FHF-	1.133	1	3
FHF	FHF	1.133	1	3