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 K-H

TPSSh/6-31G(2df,p)

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

Values greater than 3.80 are in the 3.80 bin. Values less than 2.20 are in the 2.20 bin.

	5
	4
	3
	2
	1
	0
		2.20			2.40			2.60			2.80			3.00			3.20			3.40			3.60			3.80
bond lengths (Å)