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/6-31G**

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

Values greater than 1.77 are in the 1.77 bin. Values less than 1.66 are in the 1.66 bin.

	5
	4
	3
	2
	1
	0
		1.66			1.67			1.68			1.69			1.70			1.71			1.72			1.73			1.74			1.75			1.76			1.77
bond lengths (Å)