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

QCISD(T)/LANL2DZ for aFBF

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

Differences greater than 0.000055 are in the 0.000055 bin. Differences less than -0.000005 are in the -0.000005 bin.

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	0
		-0.000005			0			0.000005			0.00001			0.000015			0.00002			0.000025			0.00003			0.000035			0.00004			0.000045			0.00005			0.000055
Angle difference calc. - exp. (degrees)