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 O-O

PBEPBEultrafine/aug-cc-pCVTZ

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

Values greater than 1.60 are in the 1.60 bin. Values less than 1.20 are in the 1.20 bin.

	5
	4
	3
	2
	1
	0
		1.20			1.25			1.30			1.35			1.40			1.45			1.50			1.55			1.60
bond lengths (Å)