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-F

B1B95/CEP-121G*

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

Values greater than 0.93 are in the 0.93 bin. Values less than 0.92 are in the 0.92 bin.

	5
	4
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	1
	0
		0.92			0.92			0.92			0.92			0.92			0.92			0.92			0.92			0.92			0.92			0.92			0.93			0.93
bond lengths (Å)