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

MP2/cc-pVTZ for dCOCO

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

Differences greater than 0 are in the 0 bin. Differences less than -120 are in the -120 bin.

	10
	8
	6
	4
	2
	0
		-120			-110			-100			-90			-80			-70			-60			-50			-40			-30			-20			-10			0
Angle difference calc. - exp. (degrees)