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Compare Angles

18 10 26 16 25

Click on entry for experimental details.
Species Name Experimental Angle Calculated Angle Difference
CH3Br methyl bromide 111.2 111.2 -0.0
CH3I methyl iodide 111.4 111.3 0.1
C2H5Br Ethyl bromide 108.9 108.4 0.5
C2H5Br Ethyl bromide 109.9 109.5 0.4
CH2BrCl Methane, bromochloro- 109.5 111.9 -2.4
C2H5I Ethyl iodide 109.9 109.5 0.4
C2H5I Ethyl iodide 109.3 108.3 1.1
C2H5I Ethyl iodide 107.9 108.4 -0.5
CH2I2 Diiodomethane 111.6 111.4 0.2
CH2FI fluoroiodomethane 113.0 112.4 0.5
CH2ClI chloroiodomethane 111.0 111.6 -0.6
H2CSe Selenoformaldehyde 117.9 116.3 1.7
CH2Br2 dibromomethane 110.9 112.0 -1.1

HF/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 2 histogram chart histogram chart
histogram chart 0 histogram chart 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- -2.4
Most positive difference H2CSe Selenoformaldehyde 1.7