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

B1B95/cc-pV(T+d)Z for aDSD

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

Differences greater than 0.025 are in the 0.025 bin. Differences less than -0.035 are in the -0.035 bin.

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	2
	0
		-0.035			-0.03			-0.025			-0.02			-0.015			-0.01			-0.005			0			0.005			0.01			0.015			0.02			0.025
Angle difference calc. - exp. (degrees)