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 Bonds

B2PLYP/STO-3G for rFXe

Histogram of Bond length differences (in Å) vs number of species

Differences greater than 11.000 are in the 11.000 bin. Differences less than -1.000 are in the -1.000 bin.

	10
	8
	6
	4
	2
	0
		-1.000			0.000			1.000			2.000			3.000			4.000			5.000			6.000			7.000			8.000			9.000			10.000			11.000
bond length difference calc. - exp. (Å)

Bond lengths
Click on entry for experimental details.