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 S-S

PBEPBEultrafine/6-31G**

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

Values greater than 2.80 are in the 2.80 bin. Values less than 1.90 are in the 1.90 bin.

	5
	4
	3
	2
	1
	0
		1.90			2.00			2.10			2.20			2.30			2.40			2.50			2.60			2.70			2.80
bond lengths (Å)