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

mPW1PW91/6-31+G** for aCSeC

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

Differences greater than -6.93889390390723E-18 are in the -6.93889390390723E-18 bin. Differences less than -0.024 are in the -0.024 bin.

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		-0.024			-0.022			-0.02			-0.018			-0.016			-0.014			-0.012			-0.01			-8.00000000000001E-03			-6.00000000000001E-03			-4.00000000000001E-03			-2.00000000000001E-03			-6.93889390390723E-18
Angle difference calc. - exp. (degrees)