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Compare Angles

18 10 26 16 25

Click on entry for experimental details.
Species Name Experimental Angle Calculated Angle Difference
CF2CCl2 difluorodichloroethylene 120.5 120.9 -0.4
ClCOClCO Oxalyl chloride 111.7 113.0 -1.3
CH3CCl2CH3 Propane, 2,2-dichloro- 108.9 108.8 0.1
CH2ClCCCl 1,3-dichloropropyne 112.1 112.4 -0.3
CH2ClCCCl 1,3-dichloropropyne 176.6 178.8 -2.2
C2H2ClF 1-chloro-1-fluoroethylene 126.3 125.7 0.6

MP3=FULL/6-31G** for aCCCl

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


Differences greater than 3.5 are in the 3.5 bin. Differences less than -2.5 are in the -2.5 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
-2.5 -2 -1.5 -1 -0.5 0 0.5 1 1.5 2 2.5 3 3.5
Angle difference calc. - exp. (degrees)

  Species Name Difference (degrees)
Most negative difference CH2ClCCCl 1,3-dichloropropyne -2.2
Most positive difference C2H2ClF 1-chloro-1-fluoroethylene 0.6