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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 124.9 125.1 -0.2
CH3COOH Acetic acid 123.0 122.5 0.5
CH3OCHO methyl formate 125.9 125.6 0.3
C4H2O3 Maleic Anhydride 122.6 122.6 0.0
C3H8O2 Methane, dimethoxy- 114.3 113.5 0.8
C3H6O3 1,3,5-Trioxane 112.0 111.3 0.7
CO2 Carbon dioxide 180.0 180.0 0.0
C4H8O2 Ethyl acetate 124.0 123.4 0.6
C2H2O4 Oxalic Acid 125.0 125.0 -0.0
CH2O2 Dioxirane 66.2 66.5 -0.4
C3H2O3 vinylene carbonate 108.8 107.9 0.9
HOCO+ Hydrocarboxyl cation 174.4 173.5 0.9
C2H4O4 Formic acid dimer 126.2 126.2 -0.0

MP2/6-31+G** for aOCO

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


Differences greater than 2 are in the 2 bin. Differences less than -0.4 are in the -0.4 bin.

histogram chart 10
histogram chart 8
histogram chart 6
histogram chart 4
histogram chart 2 histogram chart histogram chart
histogram chart 0 histogram chart histogram chart histogram chart histogram chart histogram chart histogram chart histogram chart
-0.4 -0.2 0 0.2 0.4 0.6 0.8 1 1.2 1.4 1.6 1.8 2
Angle difference calc. - exp. (degrees)

  Species Name Difference (degrees)
Most negative difference CH2O2 Dioxirane -0.4
Most positive difference C3H2O3 vinylene carbonate 0.9