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-F

HF/Def2TZVPP

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

Values greater than 1.91 are in the 1.91 bin. Values less than 1.81 are in the 1.81 bin.

	5
	4
	3
	2
	1
	0
		1.81			1.82			1.83			1.84			1.85			1.86			1.87			1.88			1.89			1.90			1.91
bond lengths (Å)