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

PBE1PBE/CEP-31G* for aHNH

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

Differences greater than 2.71050543121376E-20 are in the 2.71050543121376E-20 bin. Differences less than -0.00024 are in the -0.00024 bin.

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		-0.00024			-0.00022			-0.0002			-0.00018			-0.00016			-0.00014			-0.00012			-0.0001			-0.00008			-0.00006			-0.00004			-0.00002			2.71050543121376E-20
Angle difference calc. - exp. (degrees)