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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 116.1 116.2 -0.1
CH3OH Methyl alcohol 109.0 108.0 1.1
CH3COCH3 Acetone 108.4 109.7 -1.3
CH4 Methane 109.5 109.5 -0.0
C2H6 Ethane 108.0 107.3 0.7
C2H4 Ethylene 117.6 117.1 0.5
CH3Cl Methyl chloride 110.8 110.6 0.1
CH3NH2 methyl amine 108.4 107.5 0.9
C3H8 Propane 106.1 105.8 0.3
C3H8 Propane 107.3 107.5 -0.2
C3H8 Propane 108.1 107.1 1.0
CH3CHO Acetaldehyde 108.3 110.3 -2.0
CH2Cl2 Methylene chloride 112.1 112.3 -0.2
CH2F2 Methane, difluoro- 112.8 113.4 -0.6
CH3SCH3 Dimethyl sulfide 109.6 108.9 0.7
C3H6 Cyclopropane 114.5 114.6 -0.1
N(CH3)3 Trimethylamine 108.1 107.7 0.4
N(CH3)3 Trimethylamine 108.6 108.1 0.5
CH3OCH3 Dimethyl ether 109.2 108.9 0.3
CH3OCH3 Dimethyl ether 108.0 107.9 0.1
CH3NHCH3 Dimethylamine 109.0 107.4 1.6
CH3NHCH3 Dimethylamine 109.0 108.2 0.8
CH3NHCH3 Dimethylamine 107.2 107.0 0.2
CH2CCH2 allene 118.2 118.0 0.2
C2H4F2 1,2-difluoroethane 110.0 110.7 -0.7
C2H4F2 1,2-difluoroethane 109.1 109.5 -0.4

PBEPBE/Sadlej_pVTZ for aHCH

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


Differences greater than 4 are in the 4 bin. Differences less than -2 are in the -2 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 histogram chart
histogram chart 0 histogram chart histogram chart histogram chart histogram chart histogram chart histogram chart histogram chart
-2 -1.5 -1 -0.5 0 0.5 1 1.5 2 2.5 3 3.5 4
Angle difference calc. - exp. (degrees)

  Species Name Difference (degrees)
Most negative difference CH3CHO Acetaldehyde -2.0
Most positive difference CH3NHCH3 Dimethylamine 1.6