III.G.1.a.

Compare Calculated Bonds for F-H

CCSD(T)/aug-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 0.90 are in the 0.90 bin.

	5
	4
	3
	2
	1
	0
		0.90			0.92			0.94			0.96			0.98			1.00			1.02			1.04			1.06			1.08			1.10			1.12			1.14
bond lengths (Å)

Summary: (Å)

Average bond length	Standard deviation
1.003	0.092

	Species	Name	Bond Length (Å)
Lowest value	HF-	hydrogen fluoride anion	0.918
Highest value	FHF-	FHF-	1.139

Calculated Bond lengths
Click on entry for all calculated results.

Species	Name	Bond Length (Å)	Atom1 index	Atom2 index
HF-	hydrogen fluoride anion	0.935	1	2
HF	Hydrogen fluoride	0.935	1	2
HF+	hydrogen fluoride cation	0.935	1	2
HF-	hydrogen fluoride anion	0.918	1	2
HF	Hydrogen fluoride	0.918	1	2
HF+	hydrogen fluoride cation	0.918	1	2
HF-	hydrogen fluoride anion	1.001	1	2
HF	Hydrogen fluoride	1.001	1	2
HF+	hydrogen fluoride cation	1.001	1	2
DF	Hydrofluoric acid-d	0.918	1	2
FHF-	FHF-	1.139	1	2
FHF	FHF	1.139	1	2
FHF-	FHF-	1.139	1	3
FHF	FHF	1.139	1	3