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

QCISD(T)=FULL/cc-pCVDZ

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

Values greater than 2.37 are in the 2.37 bin. Values less than 2.35 are in the 2.35 bin.

	5
	4
	3
	2
	1
	0
		2.35			2.36			2.37
bond lengths (Å)