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-B

QCISD(TQ)/6-31G*

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

Values greater than 1.40 are in the 1.40 bin. Values less than 1.16 are in the 1.16 bin.

	12
	10
	8
	6
	4
	2
	0
		1.16			1.18			1.20			1.22			1.24			1.26			1.28			1.30			1.32			1.34			1.36			1.38			1.40
bond lengths (Å)