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

QCISD(T)/aug-cc-pVTZ for aHNB

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

Differences greater than 0.00055 are in the 0.00055 bin. Differences less than -0.00005 are in the -0.00005 bin.

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	0
		-0.00005			0			0.00005			0.0001			0.00015			0.0002			0.00025			0.0003			0.00035			0.0004			0.00045			0.0005			0.00055
Angle difference calc. - exp. (degrees)