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-F

BLYP/6-311G*

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

Values greater than 2.00 are in the 2.00 bin. Values less than 1.95 are in the 1.95 bin.

	5
	4
	3
	2
	1
	0
		1.95			1.96			1.96			1.97			1.97			1.98			1.98			1.99			1.99			2.00
bond lengths (Å)