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/aug-cc-pVDZ

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

Values greater than 3.55 are in the 3.55 bin. Values less than 2.95 are in the 2.95 bin.

	5
	4
	3
	2
	1
	0
		2.95			3.00			3.05			3.10			3.15			3.20			3.25			3.30			3.35			3.40			3.45			3.50			3.55
bond lengths (Å)