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

CCD/STO-3G

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

Values greater than 1.06 are in the 1.06 bin. Values less than 1.01 are in the 1.01 bin.

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	1
	0
		1.01			1.01			1.02			1.02			1.03			1.03			1.04			1.04			1.05			1.05			1.06			1.06
bond lengths (Å)