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Compare Angles

18 10 26 16 25

Click on entry for experimental details.
Species Name Experimental Angle Calculated Angle Difference
C3H6 Cyclopropane 60.0 60.0 -0.0
CH2CHCH3 Propene 124.8 124.8 0.0
C3H5 Allyl radical 124.6 124.8 -0.2

QCISD/SDD for aCCC

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


Differences greater than 0.02 are in the 0.02 bin. Differences less than -0.22 are in the -0.22 bin.

histogram chart 10
histogram chart 8
histogram chart 6
histogram chart 4
histogram chart 2
histogram chart 0 histogram chart histogram chart histogram chart
-0.22 -0.2 -0.18 -0.16 -0.14 -0.12 -0.1 -0.08 -0.06 -0.04 -0.02 2.77555756156289E-17 0.02
Angle difference calc. - exp. (degrees)

  Species Name Difference (degrees)
Most negative difference C3H5 Allyl radical -0.2
Most positive difference CH2CHCH3 Propene 0.0