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

B3LYPultrafine/Def2TZVPP for aHBN

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

Differences greater than 9.99999999999999E-04 are in the 9.99999999999999E-04 bin. Differences less than -0.005 are in the -0.005 bin.

	10
	8
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	4
	2
	0
		-0.005			-0.0045			-0.004			-0.0035			-0.003			-0.0025			-0.002			-0.0015			-0.001			-0.0005			-8.67361737988404E-19			4.99999999999999E-04			9.99999999999999E-04
Angle difference calc. - exp. (degrees)