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

HSEh1PBE/STO-3G

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

Values greater than 2.15 are in the 2.15 bin. Values less than 1.75 are in the 1.75 bin.

	5
	4
	3
	2
	1
	0
		1.75			1.80			1.85			1.90			1.95			2.00			2.05			2.10			2.15
bond lengths (Å)