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-O

QCISD(TQ)=FULL/cc-pVTZ

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

Values greater than 1.04 are in the 1.04 bin. Values less than 0.94 are in the 0.94 bin.

	6
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	4
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	1
	0
		0.94			0.95			0.96			0.97			0.98			0.99			1.00			1.01			1.02			1.03			1.04
bond lengths (Å)