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 Br-O

PBEPBEultrafine/TZVP

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

Values greater than 1.88 are in the 1.88 bin. Values less than 1.66 are in the 1.66 bin.

	5
	4
	3
	2
	1
	0
		1.66			1.68			1.70			1.72			1.74			1.76			1.78			1.80			1.82			1.84			1.86			1.88
bond lengths (Å)