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 I-H

ROHF/Def2TZVPP

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

Values greater than 1.62 are in the 1.62 bin. Values less than 1.60 are in the 1.60 bin.

	5
	4
	3
	2
	1
	0
		1.60			1.60			1.60			1.60			1.60			1.61			1.61			1.61			1.61			1.61			1.62			1.62
bond lengths (Å)