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 |
111.3 |
-0.4 |
CHCl3 |
Chloroform |
110.9 |
111.3 |
-0.3 |
CH3CCl3 |
Ethane, 1,1,1-trichloro- |
110.4 |
109.1 |
1.3 |
CH2Cl2 |
Methylene chloride |
112.2 |
113.4 |
-1.2 |
CH2Cl2 |
Methylene chloride |
112.2 |
113.3 |
-1.1 |
CH3CHCl2 |
Ethane, 1,1-dichloro- |
112.0 |
110.9 |
1.1 |
CH2CCl2 |
Ethene, 1,1-dichloro- |
114.5 |
114.7 |
-0.2 |
CCl2O |
Phosgene |
111.9 |
110.5 |
1.4 |
CBrCl3 |
Methane, bromotrichloro- |
109.7 |
107.8 |
1.9 |
CFCl3 |
Trichloromonofluoromethane |
110.5 |
109.0 |
1.5 |
CF2Cl2 |
difluorodichloromethane |
112.6 |
108.5 |
4.0 |
CF2Cl2 |
difluorodichloromethane |
112.6 |
108.5 |
4.1 |
CF2CCl2 |
difluorodichloroethylene |
119.0 |
118.2 |
0.8 |
C2Cl4 |
Tetrachloroethylene |
115.7 |
116.1 |
-0.4 |
CH3CCl2CH3 |
Propane, 2,2-dichloro- |
108.3 |
108.9 |
-0.6 |
CH3CCl2CH3 |
Propane, 2,2-dichloro- |
108.3 |
108.8 |
-0.5 |
CCl2 |
dichloromethylene |
109.2 |
105.8 |
3.5 |
B1B95/STO-3G for aClCCl
Histogram of angle differences (in degrees) vs number of species
Differences greater than 4.5 are in the 4.5 bin.
Differences less than -1.5 are in the -1.5 bin.
|
10 |
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
8 |
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
6 |
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
4 |
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
2 |
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
0 |
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| |
-1.5 |
-1 |
-0.5 |
0 |
0.5 |
1 |
1.5 |
2 |
2.5 |
3 |
3.5 |
4 |
4.5 |
Angle difference calc. - exp. (degrees) |
|
Species |
Name |
Difference (degrees) |
Most negative difference |
CH2Cl2 |
Methylene chloride |
-1.2 |
Most positive difference
| CF2Cl2 |
difluorodichloromethane |
4.1 |