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

MP2/3-21G*

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

Values greater than 3.00 are in the 3.00 bin. Values less than 1.40 are in the 1.40 bin.

	5
	4
	3
	2
	1
	0
		1.40			1.60			1.80			2.00			2.20			2.40			2.60			2.80			3.00
bond lengths (Å)