III.G.1.a.

Compare Calculated Bonds for N-O

CCSD(T)/3-21G

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

Values greater than 1.30 are in the 1.30 bin. Values less than 1.10 are in the 1.10 bin.

	6
	5
	4
	3
	2
	1
	0
		1.10			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
1.220	0.072

	Species	Name	Bond Length (Å)
Lowest value	NO-	nitric oxide anion	1.103
Highest value	NO2-	Nitrogen dioxide anion	1.280

Calculated Bond lengths
Click on entry for all calculated results.

Species	Name	Bond Length (Å)	Atom1 index	Atom2 index
NO-	nitric oxide anion	1.218	1	2
		1.103	1	2
NO	Nitric oxide	1.218	1	2
		1.103	1	2
NO+	nitric oxide cation	1.218	1	2
		1.103	1	2
NO2-	Nitrogen dioxide anion	1.280	1	2
		1.280	1	3
NO2	Nitrogen dioxide	1.280	1	2
		1.280	1	3
NO2+	Nitrogen dioxide cation	1.280	1	2
		1.280	1	3