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 Ca-Cl

wB97X-D/3-21G*

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

Values greater than 2.63 are in the 2.63 bin. Values less than 2.59 are in the 2.59 bin.

	5
	4
	3
	2
	1
	0
		2.59			2.60			2.60			2.61			2.61			2.62			2.62			2.63
bond lengths (Å)