III.G.1.a.

Compare Calculated Bonds for F-H

B1B95/cc-pVQZ

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

Values greater than 1.10 are in the 1.10 bin. Values less than 1.00 are in the 1.00 bin.

	5
	4
	3
	2
	1
	0
		1.00			1.01			1.02			1.03			1.04			1.05			1.06			1.07			1.08			1.09			1.10
bond lengths (Å)

Summary: (Å)

Average bond length	Standard deviation
1.047	0.038

	Species	Name	Bond Length (Å)
Lowest value	HF-	hydrogen fluoride anion	1.008
Highest value	HF-	hydrogen fluoride anion	1.085

Calculated Bond lengths
Click on entry for all calculated results.

Species	Name	Bond Length (Å)	Atom1 index	Atom2 index
HF-	hydrogen fluoride anion	1.085	1	2
		1.008	1	2
HF	Hydrogen fluoride	1.085	1	2
		1.008	1	2
HF+	hydrogen fluoride cation	1.085	1	2
		1.008	1	2