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

MP2/aug-cc-pVQZ for aOOO

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

Differences greater than 0.0015 are in the 0.0015 bin. Differences less than -0.0045 are in the -0.0045 bin.

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	2
	0
		-0.0045			-0.004			-0.0035			-0.003			-0.0025			-0.002			-0.0015			-0.001			-0.0005			0			0.0005			9.99999999999999E-04			0.0015
Angle difference calc. - exp. (degrees)