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 | 112.3 | -0.1 |
MP3/daug-cc-pVTZ for aClCCl
Histogram of angle differences (in degrees) vs number of species
Differences greater than 0.1 are in the 0.1 bin. Differences less than -0.14 are in the -0.14 bin.
10 | ||||||||||||||||||||||||||||||||||||||||
8 | ||||||||||||||||||||||||||||||||||||||||
6 | ||||||||||||||||||||||||||||||||||||||||
4 | ||||||||||||||||||||||||||||||||||||||||
2 | ||||||||||||||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||||||||||||||
-0.14 | -0.12 | -0.1 | -0.08 | -0.06 | -0.04 | -0.02 | 0 | 0.02 | 0.04 | 0.06 | 0.08 | 0.1 | ||||||||||||||||||||||||||||
Angle difference calc. - exp. (degrees) |
Species | Name | Difference (degrees) | |
---|---|---|---|
Most negative difference | CH2Cl2 | Methylene chloride | -0.1 |
Most positive difference | CH2Cl2 | Methylene chloride | -0.1 |