III.G.1.a.

Compare Calculated Bonds for N-O

CCSD(T)=FULL/6-31G*

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.

	12
	10
	8
	6
	4
	2
	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
1.237	0.113

	Species	Name	Bond Length (Å)
Lowest value	NO-	nitric oxide anion	1.088
Highest value	ClONO2	Chlorine nitrate	1.502

Calculated Bond lengths
Click on entry for all calculated results.

Species	Name	Bond Length (Å)	Atom1 index	Atom2 index
C3H7ONO	Propyl nitrite	1.495	4	5
		1.288	5	6
FNO	Nitrosyl fluoride	1.162	2	3
NO-	nitric oxide anion	1.289	1	2
		1.168	1	2
		1.088	1	2
		1.292	1	2
NO	Nitric oxide	1.289	1	2
		1.168	1	2
		1.088	1	2
		1.292	1	2
NO+	nitric oxide cation	1.289	1	2
		1.168	1	2
		1.088	1	2
		1.292	1	2
NO2-	Nitrogen dioxide anion	1.142	1	2
		1.142	1	3
NO2	Nitrogen dioxide	1.142	1	2
		1.142	1	3
NO2+	Nitrogen dioxide cation	1.142	1	2
		1.142	1	3
BrNO	Nitrosyl bromide	1.159	1	3
HNO-	Nitrosyl hydride anion	1.229	2	3
		1.344	2	3
HNO	Nitrosyl hydride	1.229	2	3
		1.344	2	3
HNO+	Nitrosyl hydride cation	1.229	2	3
		1.344	2	3
ClONO2	Chlorine nitrate	1.502	2	3
		1.206	3	4
BrONO	Bromine nitrite	1.498	2	3
		1.179	3	4