IV.D.4. (XII.A.2.) |
Compare Angles
Click on entry for experimental details.
Species | Name | Experimental Angle | Calculated Angle | Difference |
---|---|---|---|---|
CCl4 | Carbon tetrachloride | 109.5 | 109.5 | -0.0 |
CHCl3 | Chloroform | 110.9 | 111.0 | -0.1 |
CH3CCl3 | Ethane, 1,1,1-trichloro- | 110.4 | 109.1 | 1.3 |
CH2Cl2 | Methylene chloride | 112.2 | 112.6 | -0.4 |
CH2Cl2 | Methylene chloride | 112.2 | 112.6 | -0.4 |
CH2CCl2 | Ethene, 1,1-dichloro- | 114.5 | 114.6 | -0.1 |
CCl2O | Phosgene | 111.9 | 111.6 | 0.3 |
CFCl3 | Trichloromonofluoromethane | 110.5 | 110.4 | 0.1 |
CF2Cl2 | difluorodichloromethane | 112.6 | 111.5 | 1.1 |
CF2Cl2 | difluorodichloromethane | 112.6 | 111.4 | 1.1 |
C2Cl4 | Tetrachloroethylene | 115.7 | 116.0 | -0.3 |
CCl2 | dichloromethylene | 109.2 | 109.6 | -0.4 |
MP2=FULL/cc-pV(T+d)Z for aClCCl
Histogram of angle differences (in degrees) vs number of species
Differences greater than 2 are in the 2 bin. Differences less than -0.4 are in the -0.4 bin.
10 | ||||||||||||||||||||||||||||||||||||||||
8 | ||||||||||||||||||||||||||||||||||||||||
6 | ||||||||||||||||||||||||||||||||||||||||
4 | ||||||||||||||||||||||||||||||||||||||||
2 | ||||||||||||||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||||||||||||||
-0.4 | -0.2 | 0 | 0.2 | 0.4 | 0.6 | 0.8 | 1 | 1.2 | 1.4 | 1.6 | 1.8 | 2 | ||||||||||||||||||||||||||||
Angle difference calc. - exp. (degrees) |
Species | Name | Difference (degrees) | |
---|---|---|---|
Most negative difference | CH2Cl2 | Methylene chloride | -0.4 |
Most positive difference | CH3CCl3 | Ethane, 1,1,1-trichloro- | 1.3 |