IV.D.4. (XII.A.2.) |
Compare Angles
Click on entry for experimental details.
Species | Name | Experimental Angle | Calculated Angle | Difference |
---|---|---|---|---|
CHCl3 | Chloroform | 108.0 | 107.6 | 0.4 |
CH3Cl | Methyl chloride | 108.2 | 108.4 | -0.2 |
CH3Cl | Methyl chloride | 108.2 | 108.4 | -0.2 |
CH2Cl2 | Methylene chloride | 108.1 | 107.9 | 0.3 |
CHFClBr | fluorochlorobromomethane | 108.5 | 108.5 | 0.0 |
CHFClBr | fluorochlorobromomethane | 108.5 | 108.4 | 0.1 |
B97D3/cc-pVDZ for aHCCl
Histogram of angle differences (in degrees) vs number of species
Differences greater than 0.4 are in the 0.4 bin. Differences less than -0.2 are in the -0.2 bin.
10 | ||||||||||||||||||||||||||||||||||||||||
8 | ||||||||||||||||||||||||||||||||||||||||
6 | ||||||||||||||||||||||||||||||||||||||||
4 | ||||||||||||||||||||||||||||||||||||||||
2 | ||||||||||||||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||||||||||||||
-0.2 | -0.15 | -0.1 | -0.05 | 0 | 0.05 | 0.1 | 0.15 | 0.2 | 0.25 | 0.3 | 0.35 | 0.4 | ||||||||||||||||||||||||||||
Angle difference calc. - exp. (degrees) |
Species | Name | Difference (degrees) | |
---|---|---|---|
Most negative difference | CH3Cl | Methyl chloride | -0.2 |
Most positive difference | CHCl3 | Chloroform | 0.4 |