III.G.1.a.

Compare Calculated Bonds for N-O

B3LYP/aug-cc-pVTZ

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

Values greater than 1.60 are in the 1.60 bin. Values less than 1.05 are in the 1.05 bin.

	45
	40
	35
	30
	25
	20
	15
	10
	5
	0
		1.05			1.10			1.15			1.20			1.25			1.30			1.35			1.40			1.45			1.50			1.55			1.60
bond lengths (Å)

Summary: (Å)

Average bond length	Standard deviation
1.217	0.082

	Species	Name	Bond Length (Å)
Lowest value	NO-	nitric oxide anion	1.057
Highest value	BrONO	Bromine nitrite	1.503

Calculated Bond lengths
Click on entry for all calculated results.

Species	Name	Bond Length (Å)	Atom1 index	Atom2 index
CH3NO2	Methane, nitro-	1.219	2	6
		1.219	2	7
CH3CHNOH	Acetaldoxime	1.410	3	4
HCNO	fulminic acid	1.201	1	2
CH3ONO	Methyl nitrite	1.402	2	6
		1.177	6	7
ClNO	Nitrosyl chloride	1.128	2	3
HNO3	Nitric acid	1.414	1	2
		1.208	1	3
		1.192	1	4
HNO2	Nitrous acid	1.295	2	3
		1.434	2	3
		1.163	3	4
		1.136	3	4
HNO2+	nitrous acid cation	1.295	2	3
		1.434	2	3
		1.163	3	4
		1.136	3	4
FNO	Nitrosyl fluoride	1.126	2	3
NH2OH	hydroxylamine	1.445	1	2
NH3O	Ammonia Oxide	1.365	1	2
N2O-	Nitrous oxide anion	1.187	2	3
		1.184	2	3
N2O	Nitrous oxide	1.187	2	3
		1.184	2	3
N2O+	Nitrous oxide cation	1.187	2	3
		1.184	2	3
NO-	nitric oxide anion	1.259	1	2
		1.146	1	2
		1.057	1	2
		1.237	1	2
NO	Nitric oxide	1.259	1	2
		1.146	1	2
		1.057	1	2
		1.237	1	2
NO+	nitric oxide cation	1.259	1	2
		1.146	1	2
		1.057	1	2
		1.237	1	2
NO2-	Nitrogen dioxide anion	1.255	1	2
		1.255	1	3
		1.191	1	2
		1.191	1	3
		1.116	1	2
		1.116	1	3
NO2	Nitrogen dioxide	1.255	1	2
		1.255	1	3
		1.191	1	2
		1.191	1	3
		1.116	1	2
		1.116	1	3
NO2+	Nitrogen dioxide cation	1.255	1	2
		1.255	1	3
		1.191	1	2
		1.191	1	3
		1.116	1	2
		1.116	1	3
NO3-	nitrate anion	1.232	1	2
		1.232	1	3
		1.232	1	4
		1.219	1	2
		1.219	1	3
		1.219	1	4
		1.219	1	2
		1.219	1	3
		1.219	1	4
NO3	Nitrogen trioxide	1.232	1	2
		1.232	1	3
		1.232	1	4
		1.219	1	2
		1.219	1	3
		1.219	1	4
		1.219	1	2
		1.219	1	3
		1.219	1	4
NO3+	nitrogen trioxide cation	1.232	1	2
		1.232	1	3
		1.232	1	4
		1.219	1	2
		1.219	1	3
		1.219	1	4
		1.219	1	2
		1.219	1	3
		1.219	1	4
BrNO	Nitrosyl bromide	1.130	1	3
ClNO2	Nitryl chloride	1.186	2	3
		1.186	2	4
HNO-	Nitrosyl hydride anion	1.198	2	3
		1.121	2	3
		1.326	2	3
HNO	Nitrosyl hydride	1.198	2	3
		1.121	2	3
		1.326	2	3
HNO+	Nitrosyl hydride cation	1.198	2	3
		1.121	2	3
		1.326	2	3
CNO-	fulminate	1.267	1	3
BrONO	Bromine nitrite	1.503	2	3
		1.150	3	4