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Compare Angles

18 10 26 16 25

Click on entry for experimental details.
Species Name Experimental Angle Calculated Angle Difference
CH3CH2Cl Ethyl chloride 111.0 111.5 -0.5
C2H3Cl Ethene, chloro- 122.3 123.4 -1.1
CH3CHClCH3 Propane, 2-chloro- 109.4 109.1 0.3
CH3CHCl2 Ethane, 1,1-dichloro- 111.0 110.9 0.1
CH2CCl2 Ethene, 1,1-dichloro- 122.8 122.9 -0.2
CH3COCl Acetyl Chloride 111.6 111.2 0.4
CF2CCl2 difluorodichloroethylene 120.5 120.9 -0.4
ClCOClCO Oxalyl chloride 111.7 111.1 0.6
CH2ClCH2Cl Ethane, 1,2-dichloro- 109.0 108.9 0.1
CH2CClCHCH2 1,3-Butadiene, 2-chloro- 117.2 117.0 0.2
CHClCHCl Ethene, 1,2-dichloro-, (Z)- 124.2 125.0 -0.8
CHClCHCl Ethene, 1,2-dichloro-, (E)- 123.8 121.5 2.3
C6H4Cl2 1,3-dichlorobenzene 118.9 118.8 0.1
CH3CCl2CH3 Propane, 2,2-dichloro- 108.9 108.6 0.3
CH2ClCCCl 1,3-dichloropropyne 112.1 112.4 -0.3
CH2ClCCCl 1,3-dichloropropyne 176.6 179.9 -3.3
C2H2ClF 1-chloro-1-fluoroethylene 126.3 125.6 0.7
C2Cl2 dichloroacetylene 180.0 180.0 0.0
C3H5Cl 1-chloro-1-propene(Z) 125.2 124.2 1.0
C3H5Cl 1-chloro-1-propene(E) 121.9 123.4 -1.5

PBEPBE/aug-cc-pVTZ for aCCCl

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


Differences greater than 2.5 are in the 2.5 bin. Differences less than -3.5 are in the -3.5 bin.

histogram chart 10
histogram chart 8
histogram chart 6
histogram chart 4 histogram chart histogram chart
histogram chart 2 histogram chart histogram chart histogram chart
histogram chart 0 histogram chart histogram chart histogram chart histogram chart histogram chart histogram chart histogram chart histogram chart
-3.5 -3 -2.5 -2 -1.5 -1 -0.5 0 0.5 1 1.5 2 2.5
Angle difference calc. - exp. (degrees)

  Species Name Difference (degrees)
Most negative difference CH2ClCCCl 1,3-dichloropropyne -3.3
Most positive difference CHClCHCl Ethene, 1,2-dichloro-, (E)- 2.3