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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 107.7 107.8 -0.0
CH2Br2 dibromomethane 108.3 107.6 0.7
C2H5Br Ethyl bromide 105.4 104.9 0.5
CH2BrCl Methane, bromochloro- 109.3 107.0 2.3
CHBr3 bromoform 107.2 106.9 0.3
CH2BrF Methane, bromofluoro- 108.5 106.3 2.2
CHFClBr fluorochlorobromomethane 108.5 107.0 1.5

B3LYP/cc-pVDZ for aHCBr

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


Differences greater than 2.2 are in the 2.2 bin. Differences less than -0.2 are in the -0.2 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
-0.2 0 0.2 0.4 0.6 0.8 1 1.2 1.4 1.6 1.8 2 2.2
Angle difference calc. - exp. (degrees)

  Species Name Difference (degrees)
Most negative difference CH3Br methyl bromide -0.0
Most positive difference CH2BrCl Methane, bromochloro- 2.3