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

TPSSh/6-31G*

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

Values greater than 3.60 are in the 3.60 bin. Values less than 2.60 are in the 2.60 bin.

	5
	4
	3
	2
	1
	0
		2.60			2.70			2.80			2.90			3.00			3.10			3.20			3.30			3.40			3.50			3.60
bond lengths (Å)