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/6-31G** for aBrPBr

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

Differences greater than -1.0842021724855E-19 are in the -1.0842021724855E-19 bin. Differences less than -0.0006 are in the -0.0006 bin.

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		-0.0006			-0.00055			-0.0005			-0.00045			-0.0004			-0.00035			-0.0003			-0.00025			-0.0002			-0.00015			-0.0001			-5.00000000000001E-05			-1.0842021724855E-19
Angle difference calc. - exp. (degrees)