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 H-C

B3LYPultrafine/aug-cc-pVQZ

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

Values greater than 1.12 are in the 1.12 bin. Values less than 1.06 are in the 1.06 bin.

	10
	8
	6
	4
	2
	0
		1.06			1.07			1.07			1.08			1.08			1.09			1.09			1.10			1.10			1.11			1.11			1.12
bond lengths (Å)