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

HF/CEP-121G

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

Values greater than 2.65 are in the 2.65 bin. Values less than 2.60 are in the 2.60 bin.

	5
	4
	3
	2
	1
	0
		2.60			2.61			2.61			2.62			2.62			2.63			2.63			2.64			2.64			2.65
bond lengths (Å)