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Compare Angles

18 10 26 16 25

Click on entry for experimental details.
Species Name Experimental Angle Calculated Angle Difference
C2H4 Ethylene 121.2 121.7 -0.5
C2H2 Acetylene 180.0 180.0 0.0
C3H6 Cyclopropane 117.9 117.9 -0.0
C3H5 Allyl radical 120.9 121.6 -0.7
C3H5 Allyl radical 117.7 117.8 -0.1

QCISD(TQ)/6-311G* for aHCC

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


Differences greater than 0.5 are in the 0.5 bin. Differences less than -0.7 are in the -0.7 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 histogram chart
-0.7 -0.6 -0.5 -0.4 -0.3 -0.2 -9.99999999999999E-02 1.11022302462516E-16 0.1 0.2 0.3 0.4 0.5
Angle difference calc. - exp. (degrees)

  Species Name Difference (degrees)
Most negative difference C3H5 Allyl radical -0.7
Most positive difference C3H6 Cyclopropane -0.0