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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 107.7 108.1 -0.3
CH2Br2 dibromomethane 108.3 107.6 0.7
C2H5Br Ethyl bromide 105.4 105.1 0.3
CH2BrCl Methane, bromochloro- 109.3 107.0 2.3
CHBr3 bromoform 107.2 106.8 0.4
CH2BrF Methane, bromofluoro- 108.5 106.5 2.0
CHFClBr fluorochlorobromomethane 108.5 107.1 1.4

PBEPBE/6-311G* 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
histogram chart 0 histogram chart 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 CH3Br methyl bromide -0.3
Most positive difference CH2BrCl Methane, bromochloro- 2.3