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

PBEPBEultrafine/3-21G* for aFBF

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

Differences greater than 0.000005 are in the 0.000005 bin. Differences less than -0.000007 are in the -0.000007 bin.

	10
	8
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	2
	0
		-0.000007			-0.000006			-0.000005			-0.000004			-0.000003			-0.000002			-9.99999999999999E-07			8.470329472543E-22			0.000001			0.000002			0.000003			0.000004			0.000005
Angle difference calc. - exp. (degrees)