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

MP3/cc-pCVTZ for aHCF

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

Differences greater than 0.015 are in the 0.015 bin. Differences less than -0.045 are in the -0.045 bin.

	10
	8
	6
	4
	2
	0
		-0.045			-0.04			-0.035			-0.03			-0.025			-0.02			-0.015			-0.01			-0.005			0			0.005			0.01			0.015
Angle difference calc. - exp. (degrees)