III.G.1.a.

Compare Calculated Bonds for N-O

B3LYPultrafine/6-31+G**

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

Values greater than 1.50 are in the 1.50 bin. Values less than 1.10 are in the 1.10 bin.

	25
	20
	15
	10
	5
	0
		1.10			1.15			1.20			1.25			1.30			1.35			1.40			1.45			1.50
bond lengths (Å)

Summary: (Å)

Average bond length	Standard deviation
1.243	0.096

	Species	Name	Bond Length (Å)
Lowest value	FNO	Nitrosyl fluoride	1.141
Highest value	NH2OH	hydroxylamine	1.447

Calculated Bond lengths
Click on entry for all calculated results.

Species	Name	Bond Length (Å)	Atom1 index	Atom2 index
C3H3NO	Isoxazole	1.400	5	8
CH3NO3	Methyl nitrate	1.216	1	2
		1.207	1	3
		1.415	1	4
CH3ONO	Methyl nitrite	1.396	2	6
		1.191	6	7
ClNO	Nitrosyl chloride	1.143	2	3
HNO3	Nitric acid	1.411	1	2
		1.218	1	3
		1.203	1	4
HNO2	Nitrous acid	1.426	2	3
		1.177	3	4
HNO2+	nitrous acid cation	1.426	2	3
		1.177	3	4
FNO	Nitrosyl fluoride	1.141	2	3
NH2OH	hydroxylamine	1.447	1	2
NO2-	Nitrogen dioxide anion	1.202	1	2
		1.202	1	3
NO2	Nitrogen dioxide	1.202	1	2
		1.202	1	3
NO2+	Nitrogen dioxide cation	1.202	1	2
		1.202	1	3
N2O4	Dinitrogen tetroxide	1.196	1	3
		1.196	1	4
		1.196	2	5
		1.196	2	6
N2O3	Dinitrogen trioxide	1.145	1	3
		1.209	2	4
		1.209	2	5
ClNO2	Nitryl chloride	1.197	2	3
		1.197	2	4