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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/TZVP for aCCC

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.

histogram chart 10
histogram chart 8
histogram chart 6
histogram chart 4
histogram chart 2
histogram chart 0 histogram chart
-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)

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