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Compare Angles

18 10 26 16 25

Click on entry for experimental details.
Species Name Experimental Angle Calculated Angle Difference
H2CO Formaldehyde 121.9 122.1 -0.2
HCOOH Formic acid 124.1 125.1 -1.0
CHONH2 formamide 122.5 122.8 -0.3
C2H4O Ethylene oxide 114.7 115.4 -0.7
CH2CHCHO Acrolein 121.3 121.1 0.2
CH2CHCHO Acrolein 120.2 121.1 -0.9
C3H6O 2-Propen-1-ol 113.3 111.7 1.6
C3H6O 2-Propen-1-ol 107.3 110.4 -3.1
C4H4O Furan 115.9 116.0 -0.1
CH3OCH3 Dimethyl ether 107.1 107.8 -0.6
CH3OCH3 Dimethyl ether 111.0 111.6 -0.6
CH3CH2CHO Propanal 120.5 120.4 0.1
C4H8O2 Ethyl acetate 108.3 108.8 -0.5
C3H3NO Oxazole 117.1 116.6 0.5
C3H3NO Oxazole 116.9 116.7 0.2
CH3OC2H5 Ethane, methoxy- 107.5 107.8 -0.3
CH3OC2H5 Ethane, methoxy- 111.1 111.7 -0.6
CH3OC2H5 Ethane, methoxy- 110.3 110.0 0.4
HCO Formyl radical 119.5 124.6 -5.1

PBE1PBE/cc-pVTZ for aHCO

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


Differences greater than 6 are in the 6 bin. Differences less than -6 are in the -6 bin.

histogram chart 10
histogram chart 8 histogram chart
histogram chart 6 histogram chart histogram chart
histogram chart 4 histogram chart histogram chart
histogram chart 2 histogram chart histogram chart
histogram chart 0 histogram chart histogram chart histogram chart histogram chart histogram chart
-6 -5 -4 -3 -2 -1 0 1 2 3 4 5 6
Angle difference calc. - exp. (degrees)

  Species Name Difference (degrees)
Most negative difference HCO Formyl radical -5.1
Most positive difference C3H6O 2-Propen-1-ol 1.6