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

B2PLYP=FULLultrafine/3-21G

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

Values greater than 1.85 are in the 1.85 bin. Values less than 1.73 are in the 1.73 bin.

	5
	4
	3
	2
	1
	0
		1.73			1.74			1.75			1.76			1.77			1.78			1.79			1.80			1.81			1.82			1.83			1.84			1.85
bond lengths (Å)