IV.D.4. (XII.A.2.) |
Compare Angles
Click on entry for experimental details.
Species | Name | Experimental Angle | Calculated Angle | Difference |
---|---|---|---|---|
CH2Cl2 | Methylene chloride | 112.2 | 113.2 | -1.0 |
CBrCl3 | Methane, bromotrichloro- | 109.7 | 109.6 | 0.1 |
CF2CCl2 | difluorodichloroethylene | 119.0 | 118.1 | 0.9 |
MP4/6-311G** for aClCCl
Histogram of angle differences (in degrees) vs number of species
Differences greater than 1.4 are in the 1.4 bin. Differences less than -1 are in the -1 bin.
10 | ||||||||||||||||||||||||||||||||||||||||
8 | ||||||||||||||||||||||||||||||||||||||||
6 | ||||||||||||||||||||||||||||||||||||||||
4 | ||||||||||||||||||||||||||||||||||||||||
2 | ||||||||||||||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||||||||||||||
-1 | -0.8 | -0.6 | -0.4 | -0.2 | 0 | 0.2 | 0.4 | 0.6 | 0.8 | 1 | 1.2 | 1.4 | ||||||||||||||||||||||||||||
Angle difference calc. - exp. (degrees) |
Species | Name | Difference (degrees) | |
---|---|---|---|
Most negative difference | CH2Cl2 | Methylene chloride | -1.0 |
Most positive difference | CF2CCl2 | difluorodichloroethylene | 0.9 |