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 N-H

QCISD(T)/6-31G**

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

Values greater than 1.05 are in the 1.05 bin. Values less than 1.02 are in the 1.02 bin.

	6
	5
	4
	3
	2
	1
	0
		1.02			1.02			1.03			1.03			1.04			1.04			1.05			1.05
bond lengths (Å)