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

LSDA/6-31+G** for aOSS

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

Differences greater than 0.0011 are in the 0.0011 bin. Differences less than -0.0001 are in the -0.0001 bin.

	10
	8
	6
	4
	2
	0
		-0.0001			0			0.0001			0.0002			0.0003			0.0004			0.0005			0.0006			0.0007			0.0008			0.0009			0.001			0.0011
Angle difference calc. - exp. (degrees)