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

CCSD/cc-pCVTZ for aCCF

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

Differences greater than 0.0000011 are in the 0.0000011 bin. Differences less than -0.0000001 are in the -0.0000001 bin.

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	0
		-0.0000001			0			0.0000001			0.0000002			0.0000003			0.0000004			0.0000005			0.0000006			0.0000007			0.0000008			0.0000009			0.000001			0.0000011
Angle difference calc. - exp. (degrees)