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-Na

CCSD(T)=FULL/TZVP

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

Values greater than 2.55 are in the 2.55 bin. Values less than 2.46 are in the 2.46 bin.

	5
	4
	3
	2
	1
	0
		2.46			2.47			2.48			2.49			2.50			2.51			2.52			2.53			2.54			2.55
bond lengths (Å)