Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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Compare Calculated Bonds for C-N

PBEPBE/6-311+G(3df,2pd)

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

Values greater than 1.39 are in the 1.39 bin. Values less than 1.28 are in the 1.28 bin.

	5
	4
	3
	2
	1
	0
		1.28			1.29			1.30			1.31			1.32			1.33			1.34			1.35			1.36			1.37			1.38			1.39
bond lengths (Å)