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Compare Angles

18 10 26 16 25

Click on entry for experimental details.
Species Name Experimental Angle Calculated Angle Difference
HCOOH Formic acid 124.9 125.2 -0.3
CO2 Carbon dioxide 180.0 180.0 0.0
C4H8O2 Ethyl acetate 124.0 123.6 0.4
C2H2O4 Oxalic Acid 125.0 125.6 -0.6
C3H2O3 vinylene carbonate 108.8 107.8 1.0
C2H4O4 Formic acid dimer 126.2 126.4 -0.2

B2PLYP/6-311G** for aOCO

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


Differences greater than 1.6 are in the 1.6 bin. Differences less than -0.8 are in the -0.8 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
-0.8 -0.6 -0.4 -0.2 0 0.2 0.4 0.6 0.8 1 1.2 1.4 1.6
Angle difference calc. - exp. (degrees)

  Species Name Difference (degrees)
Most negative difference C2H2O4 Oxalic Acid -0.6
Most positive difference C3H2O3 vinylene carbonate 1.0