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 Angles

HSEh1PBE/3-21G for aFAsF

Histogram of angle differences (in degrees) vs number of species

Differences greater than 0.000006 are in the 0.000006 bin. Differences less than -0.000018 are in the -0.000018 bin.

	10
	8
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	4
	2
	0
		-0.000018			-0.000016			-0.000014			-0.000012			-0.00001			-0.000008			-0.000006			-0.000004			-0.000002			0			0.000002			0.000004			0.000006
Angle difference calc. - exp. (degrees)