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 F-S

B97D3ultrafine/aug-cc-pVTZ

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

Values greater than 1.71 are in the 1.71 bin. Values less than 1.59 are in the 1.59 bin.

	5
	4
	3
	2
	1
	0
		1.59			1.60			1.61			1.62			1.63			1.64			1.65			1.66			1.67			1.68			1.69			1.70			1.71
bond lengths (Å)