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

LSDA/STO-3G

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

Values greater than 2.68 are in the 2.68 bin. Values less than 2.48 are in the 2.48 bin.

	5
	4
	3
	2
	1
	0
		2.48			2.50			2.52			2.54			2.56			2.58			2.60			2.62			2.64			2.66			2.68
bond lengths (Å)