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 C-Li

B2PLYP=FULLultrafine/3-21G

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

Values greater than 2.02 are in the 2.02 bin. Values less than 1.91 are in the 1.91 bin.

	5
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	3
	2
	1
	0
		1.91			1.92			1.93			1.94			1.95			1.96			1.97			1.98			1.99			2.00			2.01			2.02
bond lengths (Å)