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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 107.7 107.7 0.0
CH2Br2 dibromomethane 108.3 107.8 0.5
C2H5Br Ethyl bromide 105.4 105.7 -0.3
CH2BrCl Methane, bromochloro- 109.3 108.8 0.5
CH2BrF Methane, bromofluoro- 108.5 106.1 2.4
CHFClBr fluorochlorobromomethane 108.5 108.9 -0.4

M06-2X/3-21G for aHCBr

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


Differences greater than 5.5 are in the 5.5 bin. Differences less than -0.5 are in the -0.5 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
-0.5 0 0.5 1 1.5 2 2.5 3 3.5 4 4.5 5 5.5
Angle difference calc. - exp. (degrees)

  Species Name Difference (degrees)
Most negative difference CHFClBr fluorochlorobromomethane -0.4
Most positive difference CH2BrF Methane, bromofluoro- 2.4