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

mPW1PW91/6-31G* for aClAsCl

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

Differences greater than -3.46944695195361E-18 are in the -3.46944695195361E-18 bin. Differences less than -0.012 are in the -0.012 bin.

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	0
		-0.012			-0.011			-0.01			-0.009			-0.008			-0.007			-0.006			-0.005			-0.004			-0.003			-0.002			-0.001			-3.46944695195361E-18
Angle difference calc. - exp. (degrees)