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-I

wB97X-D/STO-3G

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

Values greater than 2.98 are in the 2.98 bin. Values less than 2.96 are in the 2.96 bin.

	5
	4
	3
	2
	1
	0
		2.96			2.97			2.98
bond lengths (Å)