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 P-F

PBEPBEultrafine/TZVP

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

Values greater than 1.69 are in the 1.69 bin. Values less than 1.59 are in the 1.59 bin.

	6
	5
	4
	3
	2
	1
	0
		1.59			1.60			1.61			1.62			1.63			1.64			1.65			1.66			1.67			1.68			1.69
bond lengths (Å)