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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 124.9 126.0 -1.1
CH3COOH Acetic acid 123.0 122.8 0.2
CH3OCHO methyl formate 125.9 126.3 -0.4
C3H6O3 1,3,5-Trioxane 112.0 111.3 0.7
CO2 Carbon dioxide 180.0 180.0 0.0
C2H2O4 Oxalic Acid 125.0 125.8 -0.8
CH2O2 Dioxirane 66.2 64.9 1.3
C3H2O3 vinylene carbonate 108.8 108.6 0.2
C2H4O4 Formic acid dimer 126.2 126.7 -0.5

CCSD/6-31G(2df,p) for aOCO

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


Differences greater than 1.2 are in the 1.2 bin. Differences less than -1.2 are in the -1.2 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 histogram chart histogram chart histogram chart
-1.2 -1 -0.8 -0.6 -0.4 -0.2 2.22044604925031E-16 0.2 0.4 0.6 0.8 1 1.2
Angle difference calc. - exp. (degrees)

  Species Name Difference (degrees)
Most negative difference HCOOH Formic acid -1.1
Most positive difference CH2O2 Dioxirane 1.3