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

ROHF/aug-cc-pVQZ

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

Values greater than 1.14 are in the 1.14 bin. Values less than 0.90 are in the 0.90 bin.

	5
	4
	3
	2
	1
	0
		0.90			0.92			0.94			0.96			0.98			1.00			1.02			1.04			1.06			1.08			1.10			1.12			1.14
bond lengths (Å)