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 F-Br

B3LYPultrafine/6-31G*

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

Values greater than 1.80 are in the 1.80 bin. Values less than 1.71 are in the 1.71 bin.

	5
	4
	3
	2
	1
	0
		1.71			1.72			1.73			1.74			1.75			1.76			1.77			1.78			1.79			1.80
bond lengths (Å)