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/3-21G for aHCO

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

Differences greater than 20 are in the 20 bin. Differences less than -40 are in the -40 bin.

	25
	20
	15
	10
	5
	0
		-40			-35			-30			-25			-20			-15			-10			-5			0			5			10			15			20
Angle difference calc. - exp. (degrees)