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 Mg-Mg

B3LYP/CEP-121G*

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

Values greater than 4.10 are in the 4.10 bin. Values less than 3.10 are in the 3.10 bin.

	5
	4
	3
	2
	1
	0
		3.10			3.20			3.30			3.40			3.50			3.60			3.70			3.80			3.90			4.00			4.10
bond lengths (Å)