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Compare Angles

18 10 26 16 25

Click on entry for experimental details.
Species Name Experimental Angle Calculated Angle Difference
C2H5Br Ethyl bromide 109.9 109.3 0.6
H2CSe Selenoformaldehyde 117.9 117.0 0.9
CH2I2 Diiodomethane 111.6 111.4 0.2
C2H5I Ethyl iodide 107.9 108.2 -0.3
C2H5I Ethyl iodide 109.3 108.4 0.9
C2H5I Ethyl iodide 109.9 109.2 0.6
CH2BrCl Methane, bromochloro- 109.5 111.7 -2.2
C2H5Br Ethyl bromide 108.9 108.6 0.3
CH2Br2 dibromomethane 110.9 111.9 -1.0
CH3I methyl iodide 111.4 111.0 0.4
CH2ClI chloroiodomethane 111.0 111.5 -0.5
CH2FI fluoroiodomethane 113.0 112.4 0.6
CH3Br methyl bromide 111.2 110.7 0.4

MP2=FULL/cc-pVTZ-PP for aHCH

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


Differences greater than 3.5 are in the 3.5 bin. Differences less than -2.5 are in the -2.5 bin.

histogram chart 10
histogram chart 8
histogram chart 6
histogram chart 4 histogram chart
histogram chart 2 histogram chart
histogram chart 0 histogram chart histogram chart histogram chart histogram chart histogram chart histogram chart
-2.5 -2 -1.5 -1 -0.5 0 0.5 1 1.5 2 2.5 3 3.5
Angle difference calc. - exp. (degrees)

  Species Name Difference (degrees)
Most negative difference CH2BrCl Methane, bromochloro- -2.2
Most positive difference H2CSe Selenoformaldehyde 0.9