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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 116.1 116.0 0.2
CH3OH Methyl alcohol 109.0 108.4 0.6
CH4 Methane 109.5 109.5 -0.0
C2H6 Ethane 108.0 107.6 0.4
C2H4 Ethylene 117.6 116.7 0.9
CH3Cl Methyl chloride 110.8 110.2 0.6
CH3NH2 methyl amine 108.4 108.1 0.3
CH3SH Methanethiol 110.3 108.4 1.9
C2H5I Ethyl iodide 109.9 109.1 0.7
C2H5I Ethyl iodide 109.3 108.3 1.0
C2H5I Ethyl iodide 107.9 108.2 -0.3
CH2I2 Diiodomethane 111.6 111.2 0.4
C3H6 Cyclopropane 114.5 114.6 -0.1
CH2FI fluoroiodomethane 113.0 112.6 0.4
CH3F Methyl fluoride 110.2 110.0 0.2
H2CS Thioformaldehyde 116.5 116.1 0.4
CH3SiH3 methyl silane 108.0 107.6 0.4
CH2NH Methanimine 116.9 116.5 0.4
CH3 Methyl radical 120.0 120.0 -0.0
CH2 Methylene 135.5 132.6 2.9
CH2 Methylene 102.4 132.6 -30.3
CH2PH Phosphaethene 117.2 115.7 1.5

MP4/6-311G* for aHCH

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


Differences greater than 25 are in the 25 bin. Differences less than -35 are in the -35 bin.

histogram chart 20
histogram chart 15 histogram chart
histogram chart 10 histogram chart
histogram chart 5 histogram chart
histogram chart 0 histogram chart histogram chart histogram chart
-35 -30 -25 -20 -15 -10 -5 0 5 10 15 20 25
Angle difference calc. - exp. (degrees)

  Species Name Difference (degrees)
Most negative difference CH2 Methylene -30.3
Most positive difference CH2 Methylene 2.9