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

wB97X-D/6-31G for aHBP

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

Differences greater than 0.0002 are in the 0.0002 bin. Differences less than -0.0004 are in the -0.0004 bin.

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	2
	0
		-0.0004			-0.00035			-0.0003			-0.00025			-0.0002			-0.00015			-0.0001			-5.00000000000001E-05			-5.42101086242752E-20			0.00005			9.99999999999999E-05			0.00015			0.0002
Angle difference calc. - exp. (degrees)