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

PBEPBE/3-21G

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

Values greater than 2.90 are in the 2.90 bin. Values less than 2.00 are in the 2.00 bin.

	9
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	3
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	1
	0
		2.00			2.10			2.20			2.30			2.40			2.50			2.60			2.70			2.80			2.90
bond lengths (Å)