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

mPW1PW91/aug-cc-pV(T+d)Z

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

Values greater than 2.40 are in the 2.40 bin. Values less than 1.80 are in the 1.80 bin.

	5
	4
	3
	2
	1
	0
		1.80			1.85			1.90			1.95			2.00			2.05			2.10			2.15			2.20			2.25			2.30			2.35			2.40
bond lengths (Å)