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-C

CCSD=FULL/cc-pV(T+d)Z

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

Values greater than 1.54 are in the 1.54 bin. Values less than 1.30 are in the 1.30 bin.

	5
	4
	3
	2
	1
	0
		1.30			1.32			1.34			1.36			1.38			1.40			1.42			1.44			1.46			1.48			1.50			1.52			1.54
bond lengths (Å)