III.G.1.a.

Compare Calculated Bonds for N-O

ROMP2/6-31G**

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

Values greater than 1.36 are in the 1.36 bin. Values less than 1.14 are in the 1.14 bin.

	9
	8
	7
	6
	5
	4
	3
	2
	1
	0
		1.14			1.16			1.18			1.20			1.22			1.24			1.26			1.28			1.30			1.32			1.34			1.36
bond lengths (Å)

Summary: (Å)

Average bond length	Standard deviation
1.247	0.073

	Species	Name	Bond Length (Å)
Lowest value	HNO2	Nitrous acid	1.141
Highest value	HNO-	Nitrosyl hydride anion	1.339

Calculated Bond lengths
Click on entry for all calculated results.

Species	Name	Bond Length (Å)	Atom1 index	Atom2 index
HNO2	Nitrous acid	1.321	2	3
		1.141	3	4
HNO2+	nitrous acid cation	1.321	2	3
		1.141	3	4
N2O-	Nitrous oxide anion	1.228	2	3
N2O	Nitrous oxide	1.228	2	3
N2O+	Nitrous oxide cation	1.228	2	3
NO-	nitric oxide anion	1.177	1	2
NO	Nitric oxide	1.177	1	2
NO+	nitric oxide cation	1.177	1	2
NO2-	Nitrogen dioxide anion	1.282	1	2
		1.156	1	2
		1.156	1	3
		1.282	1	3
NO2	Nitrogen dioxide	1.282	1	2
		1.156	1	2
		1.156	1	3
		1.282	1	3
NO2+	Nitrogen dioxide cation	1.282	1	2
		1.156	1	2
		1.156	1	3
		1.282	1	3
NO3-	nitrate anion	1.163	1	2
		1.295	1	2
		1.295	1	3
		1.332	1	3
		1.332	1	4
		1.295	1	4
NO3	Nitrogen trioxide	1.163	1	2
		1.295	1	2
		1.295	1	3
		1.332	1	3
		1.332	1	4
		1.295	1	4
NO3+	nitrogen trioxide cation	1.163	1	2
		1.295	1	2
		1.295	1	3
		1.332	1	3
		1.332	1	4
		1.295	1	4
HNO-	Nitrosyl hydride anion	1.149	2	3
		1.339	2	3
HNO	Nitrosyl hydride	1.149	2	3
		1.339	2	3
HNO+	Nitrosyl hydride cation	1.149	2	3
		1.339	2	3