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/cc-pV(T+d)Z

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

Values greater than 1.66 are in the 1.66 bin. Values less than 1.56 are in the 1.56 bin.

	6
	5
	4
	3
	2
	1
	0
		1.56			1.57			1.58			1.59			1.60			1.61			1.62			1.63			1.64			1.65			1.66
bond lengths (Å)