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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 116.1 115.8 0.4
CH4 Methane 109.5 109.5 -0.0
CH3Br methyl bromide 111.2 110.6 0.5
C2H6 Ethane 108.0 107.8 0.2
C2H4 Ethylene 117.6 116.8 0.8
CH3I methyl iodide 111.4 110.8 0.6
CH2Br2 dibromomethane 110.9 111.4 -0.5
CH2I2 Diiodomethane 111.6 110.8 0.8
C3H6 Cyclopropane 114.5 114.6 -0.1
C3H2N2 Malononitrile 106.9 108.1 -1.1
CH2FI fluoroiodomethane 113.0 112.1 0.9

CID/6-311G** for aHCH

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 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 C3H2N2 Malononitrile -1.1
Most positive difference CH2FI fluoroiodomethane 0.9