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

B97D3/aug-cc-pV(T+d)Z

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

Values greater than 2.49 are in the 2.49 bin. Values less than 2.47 are in the 2.47 bin.

	5
	4
	3
	2
	1
	0
		2.47			2.48			2.49
bond lengths (Å)