III.G.1.a.

Compare Calculated Bonds for N-O

ROMP2/cc-pVQZ

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

Values greater than 1.30 are in the 1.30 bin. Values less than 1.12 are in the 1.12 bin.

	9
	8
	7
	6
	5
	4
	3
	2
	1
	0
		1.12			1.14			1.16			1.18			1.20			1.22			1.24			1.26			1.28			1.30
bond lengths (Å)

Summary: (Å)

Average bond length	Standard deviation
1.185	0.063

	Species	Name	Bond Length (Å)
Lowest value	HNO-	Nitrosyl hydride anion	1.132
Highest value	NO2-	Nitrogen dioxide anion	1.262

Calculated Bond lengths
Click on entry for all calculated results.

Species	Name	Bond Length (Å)	Atom1 index	Atom2 index
NO2-	Nitrogen dioxide anion	1.262	1	2
NO2	Nitrogen dioxide	1.262	1	2
NO2+	Nitrogen dioxide cation	1.262	1	2
NO2-	Nitrogen dioxide anion	1.262	1	3
NO2	Nitrogen dioxide	1.262	1	3
NO2+	Nitrogen dioxide cation	1.262	1	3
NO2-	Nitrogen dioxide anion	1.135	1	2
NO2	Nitrogen dioxide	1.135	1	2
NO2+	Nitrogen dioxide cation	1.135	1	2
NO2-	Nitrogen dioxide anion	1.135	1	3
NO2	Nitrogen dioxide	1.135	1	3
NO2+	Nitrogen dioxide cation	1.135	1	3
HNO-	Nitrosyl hydride anion	1.132	2	3
HNO	Nitrosyl hydride	1.132	2	3
HNO+	Nitrosyl hydride cation	1.132	2	3