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

MP2/CEP-121G*

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

Values greater than 4.60 are in the 4.60 bin. Values less than 3.00 are in the 3.00 bin.

	5
	4
	3
	2
	1
	0
		3.00			3.20			3.40			3.60			3.80			4.00			4.20			4.40			4.60
bond lengths (Å)