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/cc-pVDZ for aHSeC

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

Differences greater than 0.0055 are in the 0.0055 bin. Differences less than -0.0005 are in the -0.0005 bin.

	10
	8
	6
	4
	2
	0
		-0.0005			0			0.0005			0.001			0.0015			0.002			0.0025			0.003			0.0035			0.004			0.0045			0.005			0.0055
Angle difference calc. - exp. (degrees)