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

MP3=FULL/aug-cc-pV(T+d)Z

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

Values greater than 2.54 are in the 2.54 bin. Values less than 2.36 are in the 2.36 bin.

	5
	4
	3
	2
	1
	0
		2.36			2.38			2.40			2.42			2.44			2.46			2.48			2.50			2.52			2.54
bond lengths (Å)