IV.D.4. (XII.A.2.) |
Compare Angles
Click on entry for experimental details.
Species | Name | Experimental Angle | Calculated Angle | Difference |
---|---|---|---|---|
CH3Cl | Methyl chloride | 108.2 | 108.4 | -0.2 |
CH2Cl2 | Methylene chloride | 108.1 | 108.2 | -0.0 |
HCCl | Chloromethylene | 101.4 | 102.0 | -0.6 |
HCCl | Chloromethylene | 101.4 | 126.9 | -25.5 |
MP4=FULL/aug-cc-pVTZ for aHCCl
Histogram of angle differences (in degrees) vs number of species
Differences greater than 30 are in the 30 bin. Differences less than -30 are in the -30 bin.
10 | ||||||||||||||||||||||||||||||||||||||||
8 | ||||||||||||||||||||||||||||||||||||||||
6 | ||||||||||||||||||||||||||||||||||||||||
4 | ||||||||||||||||||||||||||||||||||||||||
2 | ||||||||||||||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||||||||||||||
-30 | -25 | -20 | -15 | -10 | -5 | 0 | 5 | 10 | 15 | 20 | 25 | 30 | ||||||||||||||||||||||||||||
Angle difference calc. - exp. (degrees) |
Species | Name | Difference (degrees) | |
---|---|---|---|
Most negative difference | HCCl | Chloromethylene | -25.5 |
Most positive difference | CH2Cl2 | Methylene chloride | -0.0 |