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 | 110.0 | 0.9 |
CHCl3 | Chloroform | 110.9 | 111.0 | -0.1 |
CH2Cl2 | Methylene chloride | 112.2 | 112.5 | -0.3 |
CH2Cl2 | Methylene chloride | 112.2 | 112.4 | -0.2 |
CH3CHCl2 | Ethane, 1,1-dichloro- | 112.0 | 110.1 | 1.9 |
CH2CCl2 | Ethene, 1,1-dichloro- | 114.5 | 116.4 | -1.9 |
CCl2O | Phosgene | 111.9 | 111.9 | 0.0 |
CF2Cl2 | difluorodichloromethane | 112.6 | 111.6 | 1.0 |
CF2Cl2 | difluorodichloromethane | 112.6 | 111.7 | 0.8 |
CF2CCl2 | difluorodichloroethylene | 119.0 | 118.2 | 0.8 |
CH3CCl2CH3 | Propane, 2,2-dichloro- | 108.3 | 108.0 | 0.3 |
M06-2X/aug-cc-pVTZ for aClCCl
Histogram of angle differences (in degrees) vs number of species
Differences greater than 4 are in the 4 bin. Differences less than -2 are in the -2 bin.
10 | ||||||||||||||||||||||||||||||||||||||||
8 | ||||||||||||||||||||||||||||||||||||||||
6 | ||||||||||||||||||||||||||||||||||||||||
4 | ||||||||||||||||||||||||||||||||||||||||
2 | ||||||||||||||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||||||||||||||
-2 | -1.5 | -1 | -0.5 | 0 | 0.5 | 1 | 1.5 | 2 | 2.5 | 3 | 3.5 | 4 | ||||||||||||||||||||||||||||
Angle difference calc. - exp. (degrees) |
Species | Name | Difference (degrees) | |
---|---|---|---|
Most negative difference | CH2CCl2 | Ethene, 1,1-dichloro- | -1.9 |
Most positive difference | CH3CHCl2 | Ethane, 1,1-dichloro- | 1.9 |