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Compare Angles

18 10 26 16 25

Click on entry for experimental details.
Species Name Experimental Angle Calculated Angle Difference
C3H5 Allyl radical 124.6 124.6 0.0

ROHF/aug-cc-pVTZ for aCCC

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


Differences greater than 0.0055 are in the 0.0055 bin. Differences less than -0.0005 are in the -0.0005 bin.

histogram chart 10
histogram chart 8
histogram chart 6
histogram chart 4
histogram chart 2
histogram chart 0 histogram chart
-0.0005 0 0.0005 0.001 0.0015 0.002 0.0025 0.003 0.0035 0.004 0.0045 0.005 0.0055
Angle difference calc. - exp. (degrees)

  Species Name Difference (degrees)
Most negative difference C3H5 Allyl radical 0.0
Most positive difference C3H5 Allyl radical 0.0