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

TPSSh/6-311G* for aCSiC

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

Differences greater than 0.00011 are in the 0.00011 bin. Differences less than -0.00001 are in the -0.00001 bin.

	10
	8
	6
	4
	2
	0
		-0.00001			0			0.00001			0.00002			0.00003			0.00004			0.00005			0.00006			0.00007			0.00008			0.00009			0.0001			0.00011
Angle difference calc. - exp. (degrees)