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 | 110.5 | 0.4 |
CH2Cl2 | Methylene chloride | 112.2 | 111.1 | 1.1 |
CF2Cl2 | difluorodichloromethane | 112.6 | 108.7 | 3.8 |
CF2CCl2 | difluorodichloroethylene | 119.0 | 118.2 | 0.8 |
CH3CCl2CH3 | Propane, 2,2-dichloro- | 108.3 | 107.2 | 1.1 |
TPSSh/3-21G for aClCCl
Histogram of angle differences (in degrees) vs number of species
Differences greater than 5.5 are in the 5.5 bin. Differences less than -0.5 are in the -0.5 bin.
10 | ||||||||||||||||||||||||||||||||||||||||
8 | ||||||||||||||||||||||||||||||||||||||||
6 | ||||||||||||||||||||||||||||||||||||||||
4 | ||||||||||||||||||||||||||||||||||||||||
2 | ||||||||||||||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||||||||||||||
-0.5 | 0 | 0.5 | 1 | 1.5 | 2 | 2.5 | 3 | 3.5 | 4 | 4.5 | 5 | 5.5 | ||||||||||||||||||||||||||||
Angle difference calc. - exp. (degrees) |
Species | Name | Difference (degrees) | |
---|---|---|---|
Most negative difference | CCl4 | Carbon tetrachloride | -0.0 |
Most positive difference | CF2Cl2 | difluorodichloromethane | 3.8 |