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 Be-O

B3LYP/6-31G**

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

Values greater than 1.50 are in the 1.50 bin. Values less than 1.32 are in the 1.32 bin.

	5
	4
	3
	2
	1
	0
		1.32			1.34			1.36			1.38			1.40			1.42			1.44			1.46			1.48			1.50
bond lengths (Å)