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 O-C

QCISD(T)/cc-pCVQZ

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

Values greater than 1.17 are in the 1.17 bin. Values less than 1.12 are in the 1.12 bin.

	5
	4
	3
	2
	1
	0
		1.12			1.12			1.13			1.13			1.14			1.14			1.15			1.15			1.16			1.16			1.17			1.17
bond lengths (Å)