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-H

QCISD(TQ)=FULL/Def2TZVPP

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

Values greater than 1.26 are in the 1.26 bin. Values less than 1.06 are in the 1.06 bin.

	5
	4
	3
	2
	1
	0
		1.06			1.08			1.10			1.12			1.14			1.16			1.18			1.20			1.22			1.24			1.26
bond lengths (Å)