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Compare Angles

18 10 26 16 25

Click on entry for experimental details.
Species Name Experimental Angle Calculated Angle Difference
CHCl3 Chloroform 108.0 108.4 -0.4
CH3Cl Methyl chloride 108.2 106.2 1.9
CH2Cl2 Methylene chloride 108.1 107.9 0.3
CHF2Cl difluorochloromethane 110.7 106.5 4.2
CH2ClCHClCH3 Propane, 1,2-dichloro- 109.0 104.1 4.9
CHClCHCl Ethene, 1,2-dichloro-, (Z)- 112.6 113.0 -0.5
CH2FCl fluorochloromethane 109.4 105.4 4.0
CH2ClI chloroiodomethane 108.7 106.2 2.5
CHFClBr fluorochlorobromomethane 108.5 106.5 2.0
CH2CHCH2CH2Cl 1-Butene, 4-chloro- 106.5 103.9 2.6
HCCl Chloromethylene 101.4 100.2 1.2

HF/3-21G for aHCCl

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 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 CHClCHCl Ethene, 1,2-dichloro-, (Z)- -0.5
Most positive difference CH2ClCHClCH3 Propane, 1,2-dichloro- 4.9