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return to home page Computational Chemistry Comparison and Benchmark DataBase Release 19 (April 2018) Standard Reference Database 101 National Institute of Standards and Technology
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Compare Angles


Click on entry for experimental details.
Species Name Experimental Angle Calculated Angle Difference
LiOH lithium hydroxide 180.0 180.0 0.0

wB97X-D/6-311G** for aHOLi

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


Differences greater than 0.0000011 are in the 0.0000011 bin. Differences less than -0.0000001 are in the -0.0000001 bin.

histogram chart 10
histogram chart 8
histogram chart 6
histogram chart 4
histogram chart 2
histogram chart 0 histogram chart
-0.0000001 0 0.0000001 0.0000002 0.0000003 0.0000004 0.0000005 0.0000006 0.0000007 0.0000008 0.0000009 0.000001 0.0000011
Angle difference calc. - exp. (degrees)

  Species Name Difference (degrees)
Most negative difference LiOH lithium hydroxide 0.0
Most positive difference LiOH lithium hydroxide 0.0