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

HSEh1PBE/Sadlej_pVTZ for aOCF

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

Differences greater than -1.73472347597681E-18 are in the -1.73472347597681E-18 bin. Differences less than -0.006 are in the -0.006 bin.

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	0
		-0.006			-0.0055			-0.005			-0.0045			-0.004			-0.0035			-0.003			-0.0025			-0.002			-0.0015			-0.001			-5.00000000000002E-04			-1.73472347597681E-18
Angle difference calc. - exp. (degrees)