Compare Angles
Click on entry for experimental details.
Species |
Name |
Experimental Angle |
Calculated Angle |
Difference |
CCl4 |
Carbon tetrachloride |
109.5 |
109.5 |
-0.0 |
CCl4 |
Carbon tetrachloride |
109.5 |
109.5 |
-0.0 |
CHCl3 |
Chloroform |
110.9 |
110.0 |
0.9 |
CHCl3 |
Chloroform |
110.9 |
110.0 |
0.9 |
CHCl3 |
Chloroform |
110.9 |
111.1 |
-0.2 |
CH3CCl3 |
Ethane, 1,1,1-trichloro- |
110.4 |
109.0 |
1.4 |
CH2Cl2 |
Methylene chloride |
112.2 |
112.9 |
-0.7 |
CH2Cl2 |
Methylene chloride |
112.2 |
112.9 |
-0.7 |
CH2Cl2 |
Methylene chloride |
112.2 |
112.7 |
-0.5 |
CH3CHCl2 |
Ethane, 1,1-dichloro- |
112.0 |
110.5 |
1.5 |
CH3CHCl2 |
Ethane, 1,1-dichloro- |
112.0 |
110.5 |
1.5 |
CH2CCl2 |
Ethene, 1,1-dichloro- |
114.5 |
116.5 |
-2.0 |
CH2CCl2 |
Ethene, 1,1-dichloro- |
114.5 |
116.5 |
-2.0 |
CCl2O |
Phosgene |
111.9 |
111.5 |
0.4 |
CCl2O |
Phosgene |
111.9 |
111.5 |
0.4 |
CFCl3 |
Trichloromonofluoromethane |
110.5 |
110.3 |
0.2 |
CF2Cl2 |
difluorodichloromethane |
112.6 |
111.2 |
1.3 |
CF2Cl2 |
difluorodichloromethane |
112.6 |
111.2 |
1.3 |
CF2Cl2 |
difluorodichloromethane |
112.6 |
111.5 |
1.0 |
CF2CCl2 |
difluorodichloroethylene |
119.0 |
118.1 |
0.9 |
C2Cl4 |
Tetrachloroethylene |
115.7 |
119.7 |
-4.0 |
CH3CCl2CH3 |
Propane, 2,2-dichloro- |
108.3 |
109.2 |
-0.9 |
CH3CCl2CH3 |
Propane, 2,2-dichloro- |
108.3 |
108.1 |
0.2 |
CCl2 |
dichloromethylene |
109.2 |
109.5 |
-0.3 |
B2PLYP/cc-pVTZ for aClCCl
Histogram of angle differences (in degrees) vs number of species
Differences greater than 2 are in the 2 bin.
Differences less than -4 are in the -4 bin.
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-4 |
-3.5 |
-3 |
-2.5 |
-2 |
-1.5 |
-1 |
-0.5 |
0 |
0.5 |
1 |
1.5 |
2 |
Angle difference calc. - exp. (degrees) |
|
Species |
Name |
Difference (degrees) |
Most negative difference |
C2Cl4 |
Tetrachloroethylene |
-4.0 |
Most positive difference
| CH3CHCl2 |
Ethane, 1,1-dichloro- |
1.5 |