III.G.1.a.

Compare Calculated Bonds for N-O

B3LYP/STO-3G

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

Values greater than 4.50 are in the 4.50 bin. Values less than 1.00 are in the 1.00 bin.

	120
	100
	80
	60
	40
	20
	0
		1.00			1.50			2.00			2.50			3.00			3.50			4.00			4.50
bond lengths (Å)

Summary: (Å)

Average bond length	Standard deviation
1.371	0.238

	Species	Name	Bond Length (Å)
Lowest value	NO-	nitric oxide anion	1.196
Highest value	N2O3	Dinitrogen trioxide	3.615

Calculated Bond lengths
Click on entry for all calculated results.

Species	Name	Bond Length (Å)	Atom1 index	Atom2 index
CH3NO2	Methane, nitro-	1.319	2	6
		1.319	2	7
C6H5NO2	Nitrobenzene	1.322	7	8
		1.322	7	9
CH3CHNOH	Acetaldoxime	1.462	3	4
C3H3NO	Isoxazole	1.452	5	8
HCNO	fulminic acid	1.278	1	2
CH3CH(CH3)ONO	Iso-propyl nitrite	1.496	11	13
		1.272	12	13
C3H7ONO	Propyl nitrite	1.498	4	5
		1.273	5	6
CH3NO3	Methyl nitrate	1.308	1	2
		1.305	1	3
		1.538	1	4
CH3ONO	Methyl nitrite	1.487	2	6
		1.273	6	7
C2H5NO3	Nitric acid, ethyl ester	1.534	1	2
		1.309	1	3
		1.306	1	4
ClNO	Nitrosyl chloride	1.244	2	3
C4H11NO	Diethylhydroxylamine	1.480	1	2
C2H6N2O2	Dimethylnitroamine	1.311	1	11
		1.311	2	11
C4H5NO	Isoxazole, 5-methyl-	1.451	6	7
HNO3	Nitric acid	1.515	1	2
		1.314	1	3
		1.304	1	4
HNO2	Nitrous acid	1.415	2	3
		1.492	2	3
		1.272	3	4
		1.280	3	4
HNO2+	nitrous acid cation	1.415	2	3
		1.492	2	3
		1.272	3	4
		1.280	3	4
FNO	Nitrosyl fluoride	1.271	2	3
FNO3	Fluorine nitrate	1.604	1	2
		1.300	1	3
		1.299	1	4
NH2OH	hydroxylamine	1.496	1	2
NH3O	Ammonia Oxide	1.379	1	2
N2O-	Nitrous oxide anion	1.367	2	3
		1.277	2	3
N2O	Nitrous oxide	1.367	2	3
		1.277	2	3
N2O+	Nitrous oxide cation	1.367	2	3
		1.277	2	3
N2O5	Dinitrogen pentoxide	1.568	1	2
		1.568	1	3
		1.303	2	4
		1.302	2	6
		1.303	3	5
		1.302	3	7
NO-	nitric oxide anion	1.328	1	2
		1.240	1	2
		1.196	1	2
		1.331	1	2
NO	Nitric oxide	1.328	1	2
		1.240	1	2
		1.196	1	2
		1.331	1	2
NO+	nitric oxide cation	1.328	1	2
		1.240	1	2
		1.196	1	2
		1.331	1	2
NO2-	Nitrogen dioxide anion	1.353	1	2
		1.353	1	3
		1.303	1	2
		1.303	1	3
		1.248	1	2
		1.248	1	3
NO2	Nitrogen dioxide	1.353	1	2
		1.353	1	3
		1.303	1	2
		1.303	1	3
		1.248	1	2
		1.248	1	3
NO2+	Nitrogen dioxide cation	1.353	1	2
		1.353	1	3
		1.303	1	2
		1.303	1	3
		1.248	1	2
		1.248	1	3
N2O4	Dinitrogen tetroxide	1.295	1	3
		1.295	1	4
		1.295	2	5
		1.295	2	6
N2O3	Dinitrogen trioxide	3.615	1	3
		2.594	2	4
		1.862	2	5
NO3-	nitrate anion	1.382	1	2
		1.354	1	3
		1.354	1	4
		1.302	1	2
		1.387	1	3
		1.387	1	4
		1.363	1	2
		1.363	1	3
		1.363	1	4
NO3	Nitrogen trioxide	1.382	1	2
		1.354	1	3
		1.354	1	4
		1.302	1	2
		1.387	1	3
		1.387	1	4
		1.363	1	2
		1.363	1	3
		1.363	1	4
NO3+	nitrogen trioxide cation	1.382	1	2
		1.354	1	3
		1.354	1	4
		1.302	1	2
		1.387	1	3
		1.387	1	4
		1.363	1	2
		1.363	1	3
		1.363	1	4
BrNO	Nitrosyl bromide	1.255	1	3
ClNO2	Nitryl chloride	1.292	2	3
		1.292	2	4
F3NO	Nitrogen trifluoride oxide	1.296	1	2
HNO-	Nitrosyl hydride anion	1.285	2	3
		1.247	2	3
		1.370	2	3
HNO	Nitrosyl hydride	1.285	2	3
		1.247	2	3
		1.370	2	3
HNO+	Nitrosyl hydride cation	1.285	2	3
		1.247	2	3
		1.370	2	3
ClONO2	Chlorine nitrate	1.583	2	3
		1.298	3	4
C4H5NO	3-Methylisoxazole	1.453	6	7
C2H6N2O2	(E)-Azodioxymethane	1.293	1	3
		1.293	2	4
CNO-	fulminate	1.340	1	3
BrONO	Bromine nitrite	1.518	2	3
		1.269	3	4