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

B97D3/3-21G*

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

Values greater than 3.03 are in the 3.03 bin. Values less than 3.01 are in the 3.01 bin.

	5
	4
	3
	2
	1
	0
		3.01			3.02			3.03
bond lengths (Å)