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 F-Br

MP3=FULL/6-31G*

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

Values greater than 2.15 are in the 2.15 bin. Values less than 1.60 are in the 1.60 bin.

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	5
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	2
	1
	0
		1.60			1.65			1.70			1.75			1.80			1.85			1.90			1.95			2.00			2.05			2.10			2.15
bond lengths (Å)