III.G.1.a.

Compare Calculated Bonds for F-H

BLYP/STO-3G

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

Values greater than 1.90 are in the 1.90 bin. Values less than 1.00 are in the 1.00 bin.

	8
	7
	6
	5
	4
	3
	2
	1
	0
		1.00			1.10			1.20			1.30			1.40			1.50			1.60			1.70			1.80			1.90
bond lengths (Å)

Summary: (Å)

Average bond length	Standard deviation
1.198	0.269

	Species	Name	Bond Length (Å)
Lowest value	H2F2	Hydrogen fluoride dimer	1.009
Highest value	HF-	hydrogen fluoride anion	1.777

Calculated Bond lengths
Click on entry for all calculated results.

Species	Name	Bond Length (Å)	Atom1 index	Atom2 index
HF-	hydrogen fluoride anion	1.777	1	2
HF	Hydrogen fluoride	1.777	1	2
HF+	hydrogen fluoride cation	1.777	1	2
HF-	hydrogen fluoride anion	1.012	1	2
HF	Hydrogen fluoride	1.012	1	2
HF+	hydrogen fluoride cation	1.012	1	2
HF-	hydrogen fluoride anion	1.087	1	2
HF	Hydrogen fluoride	1.087	1	2
HF+	hydrogen fluoride cation	1.087	1	2
H2F+	dihydrogen fluoride cation	1.027	1	2
		1.027	1	3
DF	Hydrofluoric acid-d	1.013	1	2
FHF-	FHF-	1.208	1	2
FHF	FHF	1.208	1	2
FHF-	FHF-	1.208	1	3
FHF	FHF	1.208	1	3
H2F2	Hydrogen fluoride dimer	1.028	1	4
		1.009	2	3