III.G.1.a.

Compare Calculated Bonds for N-O

CISD/3-21G*

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

Values greater than 2.80 are in the 2.80 bin. Values less than 1.00 are in the 1.00 bin.

	35
	30
	25
	20
	15
	10
	5
	0
		1.00			1.20			1.40			1.60			1.80			2.00			2.20			2.40			2.60			2.80
bond lengths (Å)

Summary: (Å)

Average bond length	Standard deviation
1.353	0.331

	Species	Name	Bond Length (Å)
Lowest value	HNO2	Nitrous acid	1.081
Highest value	NO3-	nitrate anion	2.581

Calculated Bond lengths
Click on entry for all calculated results.

Species	Name	Bond Length (Å)	Atom1 index	Atom2 index
CH3NHCH2COOH	Sarcosine	1.089	2	10
HCNO	fulminic acid	1.273	1	2
C3H7ONO	Propyl nitrite	1.475	4	5
		1.209	5	6
C2H5NO3	Nitric acid, ethyl ester	1.444	1	2
		1.241	1	3
		1.255	1	4
HNO2	Nitrous acid	2.185	2	3
		1.081	3	4
HNO2+	nitrous acid cation	2.185	2	3
		1.081	3	4
NH2OH	hydroxylamine	1.515	1	2
NH3O	Ammonia Oxide	1.528	1	2
N2O-	Nitrous oxide anion	1.405	2	3
N2O	Nitrous oxide	1.405	2	3
N2O+	Nitrous oxide cation	1.405	2	3
NO-	nitric oxide anion	1.347	1	2
		1.083	1	2
		1.348	1	2
NO	Nitric oxide	1.347	1	2
		1.083	1	2
		1.348	1	2
NO+	nitric oxide cation	1.347	1	2
		1.083	1	2
		1.348	1	2
NO2-	Nitrogen dioxide anion	1.327	1	2
		1.147	1	2
		1.147	1	3
		1.327	1	3
NO2	Nitrogen dioxide	1.327	1	2
		1.147	1	2
		1.147	1	3
		1.327	1	3
NO2+	Nitrogen dioxide cation	1.327	1	2
		1.147	1	2
		1.147	1	3
		1.327	1	3
NO3-	nitrate anion	2.581	1	2
		1.271	1	2
		1.271	1	3
		1.143	1	3
		1.143	1	4
		1.271	1	4
NO3	Nitrogen trioxide	2.581	1	2
		1.271	1	2
		1.271	1	3
		1.143	1	3
		1.143	1	4
		1.271	1	4
NO3+	nitrogen trioxide cation	2.581	1	2
		1.271	1	2
		1.271	1	3
		1.143	1	3
		1.143	1	4
		1.271	1	4
BrNO	Nitrosyl bromide	1.182	1	3
HNO-	Nitrosyl hydride anion	1.137	2	3
		1.408	2	3
HNO	Nitrosyl hydride	1.137	2	3
		1.408	2	3
HNO+	Nitrosyl hydride cation	1.137	2	3
		1.408	2	3
ClONO2	Chlorine nitrate	1.527	2	3
		1.230	3	4
CNO-	fulminate	1.364	1	3
BrONO	Bromine nitrite	1.554	2	3
		1.191	3	4