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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 121.9 121.9 0.0
HCOOH Formic acid 124.1 124.9 -0.8
C2H4O Ethylene oxide 114.7 115.3 -0.6
C3H6O 2-Propen-1-ol 113.3 111.5 1.8
C3H6O 2-Propen-1-ol 107.3 110.4 -3.1
CH3CH2CHO Propanal 120.5 120.3 0.2
C4H8O2 Ethyl acetate 108.3 109.1 -0.8
C3H3NO Oxazole 117.1 116.6 0.5
C3H3NO Oxazole 116.9 116.8 0.1
CH3OC2H5 Ethane, methoxy- 107.5 107.8 -0.3
CH3OC2H5 Ethane, methoxy- 111.1 111.5 -0.4
CH3OC2H5 Ethane, methoxy- 110.3 110.0 0.4

MP3/cc-pVTZ for aHCO

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


Differences greater than 2.5 are in the 2.5 bin. Differences less than -3.5 are in the -3.5 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
-3.5 -3 -2.5 -2 -1.5 -1 -0.5 0 0.5 1 1.5 2 2.5
Angle difference calc. - exp. (degrees)

  Species Name Difference (degrees)
Most negative difference C3H6O 2-Propen-1-ol -3.1
Most positive difference C3H6O 2-Propen-1-ol 1.8