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

PBE1PBE/Def2TZVPP

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

Values greater than 1.59 are in the 1.59 bin. Values less than 1.54 are in the 1.54 bin.

	5
	4
	3
	2
	1
	0
		1.54			1.54			1.55			1.55			1.56			1.56			1.57			1.57			1.58			1.58			1.59
bond lengths (Å)