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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 107.7 108.6 -0.8
CH2Br2 dibromomethane 108.3 108.0 0.3
C2H5Br Ethyl bromide 105.4 106.0 -0.6
CH2BrCl Methane, bromochloro- 109.3 107.9 1.4
CHBr3 bromoform 107.2 107.4 -0.2
CH2BrF Methane, bromofluoro- 108.5 107.0 1.5
CHFClBr fluorochlorobromomethane 108.5 108.1 0.4

PBEPBE/6-31G(2df,p) for aHCBr

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


Differences greater than 1.4 are in the 1.4 bin. Differences less than -1 are in the -1 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
-1 -0.8 -0.6 -0.4 -0.2 0 0.2 0.4 0.6 0.8 1 1.2 1.4
Angle difference calc. - exp. (degrees)

  Species Name Difference (degrees)
Most negative difference CH3Br methyl bromide -0.8
Most positive difference CH2BrF Methane, bromofluoro- 1.5