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

QCISD(TQ)=FULL/daug-cc-pVDZ

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

Values greater than 1.13 are in the 1.13 bin. Values less than 1.08 are in the 1.08 bin.

	5
	4
	3
	2
	1
	0
		1.08			1.08			1.09			1.09			1.10			1.10			1.11			1.11			1.12			1.12			1.13			1.13
bond lengths (Å)