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-Al

HF/cc-pV(T+d)Z

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

Values greater than 1.68 are in the 1.68 bin. Values less than 1.67 are in the 1.67 bin.

	5
	4
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	2
	1
	0
		1.67			1.67			1.67			1.67			1.67			1.68			1.68			1.68			1.68			1.68			1.68			1.68			1.68
bond lengths (Å)