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 H-Br

PBEPBEultrafine/daug-cc-pVTZ

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

Values greater than 1.52 are in the 1.52 bin. Values less than 1.43 are in the 1.43 bin.

	5
	4
	3
	2
	1
	0
		1.43			1.44			1.45			1.46			1.47			1.48			1.49			1.50			1.51			1.52
bond lengths (Å)