III.G.1.a.

Compare Calculated Bonds for N-O

PBEPBE/Sadlej_pVTZ

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

Values greater than 1.22 are in the 1.22 bin. Values less than 1.16 are in the 1.16 bin.

	6
	5
	4
	3
	2
	1
	0
		1.16			1.16			1.17			1.17			1.18			1.18			1.19			1.19			1.20			1.20			1.21			1.21			1.22
bond lengths (Å)

Summary: (Å)

Average bond length	Standard deviation
1.196	0.022

	Species	Name	Bond Length (Å)
Lowest value	NO-	nitric oxide anion	1.160
Highest value	NO2-	Nitrogen dioxide anion	1.213

Calculated Bond lengths
Click on entry for all calculated results.

Species	Name	Bond Length (Å)	Atom1 index	Atom2 index
N2O-	Nitrous oxide anion	1.199	2	3
N2O	Nitrous oxide	1.199	2	3
N2O+	Nitrous oxide cation	1.199	2	3
NO-	nitric oxide anion	1.160	1	2
NO	Nitric oxide	1.160	1	2
NO+	nitric oxide cation	1.160	1	2
NO2-	Nitrogen dioxide anion	1.213	1	2
NO2	Nitrogen dioxide	1.213	1	2
NO2+	Nitrogen dioxide cation	1.213	1	2
NO2-	Nitrogen dioxide anion	1.213	1	3
NO2	Nitrogen dioxide	1.213	1	3
NO2+	Nitrogen dioxide cation	1.213	1	3