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

BLYP/6-31G

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

Values greater than 2.71 are in the 2.71 bin. Values less than 2.66 are in the 2.66 bin.

	5
	4
	3
	2
	1
	0
		2.66			2.67			2.67			2.68			2.68			2.69			2.69			2.70			2.70			2.71			2.71
bond lengths (Å)