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

QCISD/3-21G

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

Values greater than 1.84 are in the 1.84 bin. Values less than 1.60 are in the 1.60 bin.

	10
	8
	6
	4
	2
	0
		1.60			1.62			1.64			1.66			1.68			1.70			1.72			1.74			1.76			1.78			1.80			1.82			1.84
bond lengths (Å)