III.G.1.a.

Compare Calculated Bonds for N-O

CCSD(T)=FULL/aug-cc-pVDZ

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

Values greater than 1.60 are in the 1.60 bin. Values less than 1.15 are in the 1.15 bin.

	5
	4
	3
	2
	1
	0
		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
1.256	0.114

	Species	Name	Bond Length (Å)
Lowest value	BrNO	Nitrosyl bromide	1.153
Highest value	BrONO	Bromine nitrite	1.514

Calculated Bond lengths
Click on entry for all calculated results.

Species	Name	Bond Length (Å)	Atom1 index	Atom2 index
NH3O	Ammonia Oxide	1.386	1	2
NO-	nitric oxide anion	1.282	1	2
NO	Nitric oxide	1.282	1	2
NO+	nitric oxide cation	1.282	1	2
NO-	nitric oxide anion	1.163	1	2
NO	Nitric oxide	1.163	1	2
NO+	nitric oxide cation	1.163	1	2
BrNO	Nitrosyl bromide	1.153	1	3
BrONO	Bromine nitrite	1.514	2	3
		1.171	3	4