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 | 111.2 | -0.3 |
CH2Cl2 | Methylene chloride | 112.2 | 113.2 | -1.0 |
CF2Cl2 | difluorodichloromethane | 112.6 | 111.5 | 1.0 |
CH3CCl2CH3 | Propane, 2,2-dichloro- | 108.3 | 108.1 | 0.2 |
PBEPBEultrafine/Def2TZVPP for aClCCl
Histogram of angle differences (in degrees) vs number of species
Differences greater than 1.2 are in the 1.2 bin. Differences less than -1.2 are in the -1.2 bin.
10 | ||||||||||||||||||||||||||||||||||||||||
8 | ||||||||||||||||||||||||||||||||||||||||
6 | ||||||||||||||||||||||||||||||||||||||||
4 | ||||||||||||||||||||||||||||||||||||||||
2 | ||||||||||||||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||||||||||||||
-1.2 | -1 | -0.8 | -0.6 | -0.4 | -0.2 | 2.22044604925031E-16 | 0.2 | 0.4 | 0.6 | 0.8 | 1 | 1.2 | ||||||||||||||||||||||||||||
Angle difference calc. - exp. (degrees) |
Species | Name | Difference (degrees) | |
---|---|---|---|
Most negative difference | CH2Cl2 | Methylene chloride | -1.0 |
Most positive difference | CF2Cl2 | difluorodichloromethane | 1.0 |