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Compare Angles

18 10 26 16 25

Click on entry for experimental details.
Species Name Experimental Angle Calculated Angle Difference
C2H6 Ethane 110.9 111.4 -0.5
C2H4 Ethylene 121.2 121.7 -0.5
C2H2 Acetylene 180.0 180.0 0.0

B1B95/cc-pVQZ for aHCC

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


Differences greater than 0.1 are in the 0.1 bin. Differences less than -0.5 are in the -0.5 bin.

histogram chart 10
histogram chart 8
histogram chart 6
histogram chart 4
histogram chart 2
histogram chart 0 histogram chart histogram chart
-0.5 -0.45 -0.4 -0.35 -0.3 -0.25 -0.2 -0.15 -9.99999999999999E-02 -4.99999999999999E-02 5.55111512312578E-17 5.00000000000001E-02 0.1
Angle difference calc. - exp. (degrees)

  Species Name Difference (degrees)
Most negative difference C2H6 Ethane -0.5
Most positive difference C2H4 Ethylene -0.5