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

wB97X-D/aug-cc-pVDZ

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

Values greater than 1.99 are in the 1.99 bin. Values less than 1.94 are in the 1.94 bin.

	5
	4
	3
	2
	1
	0
		1.94			1.94			1.95			1.95			1.96			1.96			1.97			1.97			1.98			1.98			1.99
bond lengths (Å)