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 |
111.1 |
-0.2 |
CHCl3 |
Chloroform |
110.9 |
111.1 |
-0.2 |
CH3CCl3 |
Ethane, 1,1,1-trichloro- |
110.4 |
108.9 |
1.5 |
CH2Cl2 |
Methylene chloride |
112.2 |
112.5 |
-0.3 |
CH2Cl2 |
Methylene chloride |
112.2 |
112.5 |
-0.3 |
CH3CHCl2 |
Ethane, 1,1-dichloro- |
112.0 |
110.2 |
1.8 |
CH2CCl2 |
Ethene, 1,1-dichloro- |
114.5 |
114.3 |
0.2 |
CCl2O |
Phosgene |
111.9 |
112.6 |
-0.7 |
CBrCl3 |
Methane, bromotrichloro- |
109.7 |
109.3 |
0.4 |
CFCl3 |
Trichloromonofluoromethane |
110.5 |
110.5 |
0.0 |
CF2Cl2 |
difluorodichloromethane |
112.6 |
111.5 |
1.0 |
CF2Cl2 |
difluorodichloromethane |
112.6 |
111.6 |
1.0 |
CF2CCl2 |
difluorodichloroethylene |
119.0 |
117.6 |
1.4 |
C2Cl4 |
Tetrachloroethylene |
115.7 |
114.4 |
1.3 |
CH3CCl2CH3 |
Propane, 2,2-dichloro- |
108.3 |
108.1 |
0.2 |
CH3CCl2CH3 |
Propane, 2,2-dichloro- |
108.3 |
108.1 |
0.2 |
CCl2 |
dichloromethylene |
109.2 |
109.8 |
-0.6 |
HF/6-31G(2df,p) for aClCCl
Histogram of angle differences (in degrees) vs number of species
Differences greater than 5 are in the 5 bin.
Differences less than -1 are in the -1 bin.
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-1 |
-0.5 |
0 |
0.5 |
1 |
1.5 |
2 |
2.5 |
3 |
3.5 |
4 |
4.5 |
5 |
Angle difference calc. - exp. (degrees) |
|
Species |
Name |
Difference (degrees) |
Most negative difference |
CCl2O |
Phosgene |
-0.7 |
Most positive difference
| CH3CHCl2 |
Ethane, 1,1-dichloro- |
1.8 |