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 Na-O

PBE1PBE/cc-pCVTZ

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

Values greater than 2.06 are in the 2.06 bin. Values less than 1.98 are in the 1.98 bin.

	5
	4
	3
	2
	1
	0
		1.98			1.99			2.00			2.01			2.02			2.03			2.04			2.05			2.06
bond lengths (Å)