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Compare Angles

18 10 26 16 25

Click on entry for experimental details.
Species Name Experimental Angle Calculated Angle Difference
CH3Cl Methyl chloride 108.2 109.1 -0.9
CH2FCl fluorochloromethane 109.4 108.1 1.3
CHFClBr fluorochlorobromomethane 108.5 109.2 -0.7
CH2CHCH2CH2Cl 1-Butene, 4-chloro- 106.5 106.6 -0.1
HCCl Chloromethylene 101.4 101.3 0.1

LSDA/6-31+G** for aHCCl

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
-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 CH3Cl Methyl chloride -0.9
Most positive difference CH2FCl fluorochloromethane 1.3