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

B97D3/cc-pVTZ-PP for aHCF

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

Differences greater than 1.11022302462516E-16 are in the 1.11022302462516E-16 bin. Differences less than -0.6 are in the -0.6 bin.

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		-0.6			-0.55			-0.5			-0.45			-0.4			-0.35			-0.3			-0.25			-0.2			-0.15			-0.1			-4.99999999999999E-02			1.11022302462516E-16
Angle difference calc. - exp. (degrees)