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Compare Angles

18 10 26 16 25

Click on entry for experimental details.
Species Name Experimental Angle Calculated Angle Difference
CH3CCl3 Ethane, 1,1,1-trichloro- 108.5 110.0 -1.5
CH3CH2Cl Ethyl chloride 111.0 111.0 0.0
C2H3Cl Ethene, chloro- 122.3 123.2 -0.9
CH3CHClCH3 Propane, 2-chloro- 109.4 108.9 0.5
CH3CHCl2 Ethane, 1,1-dichloro- 111.0 110.5 0.5
CH2CCl2 Ethene, 1,1-dichloro- 122.8 122.9 -0.2
CH3COCl Acetyl Chloride 111.6 110.9 0.7
CH3CHClCH2CH3 Butane, 2-chloro- 112.4 108.7 3.7
CH2ClCHClCH3 Propane, 1,2-dichloro- 111.2 110.1 1.1
CH2ClCHClCH3 Propane, 1,2-dichloro- 108.0 105.7 2.3
CH2ClCHClCH3 Propane, 1,2-dichloro- 109.7 110.0 -0.3
CH2ClCHCl2 1,1,2-trichloroethane 106.4 107.5 -1.1
CH2ClCHCl2 1,1,2-trichloroethane 107.9 110.6 -2.7
CHClCCl2 Trichloroethylene 120.1 120.2 -0.1
CHClCCl2 Trichloroethylene 124.4 123.6 0.8
CHClCCl2 Trichloroethylene 122.5 122.9 -0.4
CF2CCl2 difluorodichloroethylene 120.5 120.5 -0.0
ClCOClCO Oxalyl chloride 111.7 110.5 1.2
C3H5Cl3 Propane, 1,2,3-trichloro- 110.7 112.7 -2.0
C3H5Cl3 Propane, 1,2,3-trichloro- 110.4 105.4 5.0
C3H5ClO Oxirane, (chloromethyl)- 108.9 109.9 -1.0
CH2ClCH2Cl Ethane, 1,2-dichloro- 109.0 108.8 0.2
C6H5Cl chlorobenzene 119.8 119.3 0.5
CH2ClCH2CH2CH3 Butane, 1-chloro- 110.8 111.7 -0.9
CH2CClCHCH2 1,3-Butadiene, 2-chloro- 117.2 116.5 0.7
C2Cl4 Tetrachloroethylene 122.2 121.8 0.3
CHClCHCl Ethene, 1,2-dichloro-, (Z)- 124.2 124.0 0.3
CHClCHCl Ethene, 1,2-dichloro-, (E)- 123.8 121.4 2.4
C6H4Cl2 1,3-dichlorobenzene 118.9 118.9 0.0
CH3CCl2CH3 Propane, 2,2-dichloro- 108.9 108.6 0.3
CH2ClCCCl 1,3-dichloropropyne 112.1 112.3 -0.1
CH2ClCCCl 1,3-dichloropropyne 176.6 180.0 -3.4
C2H2ClF 1-chloro-1-fluoroethylene 126.3 124.4 1.9

SVWN/6-31G(2df,p) for aCCCl

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


Differences greater than 8 are in the 8 bin. Differences less than -4 are in the -4 bin.

histogram chart 14
histogram chart 12 histogram chart
histogram chart 10 histogram chart
histogram chart 8 histogram chart
histogram chart 6 histogram chart
histogram chart 4 histogram chart histogram chart
histogram chart 2 histogram chart 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
-4 -3 -2 -1 0 1 2 3 4 5 6 7 8
Angle difference calc. - exp. (degrees)

  Species Name Difference (degrees)
Most negative difference CH2ClCCCl 1,3-dichloropropyne -3.4
Most positive difference C3H5Cl3 Propane, 1,2,3-trichloro- 5.0