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

ROMP2/aug-cc-pVTZ

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

Values greater than 1.26 are in the 1.26 bin. Values less than 1.23 are in the 1.23 bin.

	5
	4
	3
	2
	1
	0
		1.23			1.23			1.24			1.24			1.25			1.25			1.26			1.26
bond lengths (Å)