III.G.1.a.

Compare Calculated Bonds for N-O

MP4/STO-3G

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

Values greater than 1.54 are in the 1.54 bin. Values less than 1.30 are in the 1.30 bin.

	6
	5
	4
	3
	2
	1
	0
		1.30			1.32			1.34			1.36			1.38			1.40			1.42			1.44			1.46			1.48			1.50			1.52			1.54
bond lengths (Å)

Summary: (Å)

Average bond length	Standard deviation
1.381	0.094

	Species	Name	Bond Length (Å)
Lowest value	NO3-	nitrate anion	1.314
Highest value	NO3-	nitrate anion	1.514

Calculated Bond lengths
Click on entry for all calculated results.

Species	Name	Bond Length (Å)	Atom1 index	Atom2 index
NO3-	nitrate anion	1.514	1	2
		1.314	1	3
		1.314	1	4
NO3	Nitrogen trioxide	1.514	1	2
		1.314	1	3
		1.314	1	4
NO3+	nitrogen trioxide cation	1.514	1	2
		1.314	1	3
		1.314	1	4