IV.D.4. (XII.A.2.) |
Compare Angles
Click on entry for experimental details.
Species | Name | Experimental Angle | Calculated Angle | Difference |
---|---|---|---|---|
CHF2Cl | difluorochloromethane | 110.1 | 109.6 | 0.5 |
CFCl3 | Trichloromonofluoromethane | 108.4 | 108.4 | 0.1 |
CF2Cl2 | difluorodichloromethane | 109.5 | 109.2 | 0.2 |
CF2Cl2 | difluorodichloromethane | 109.5 | 109.2 | 0.2 |
CF3Cl | Methane, chlorotrifluoro- | 110.3 | 110.2 | 0.1 |
CF3Cl | Methane, chlorotrifluoro- | 110.3 | 110.2 | 0.1 |
CH2FCl | fluorochloromethane | 110.1 | 110.0 | 0.1 |
CHFClBr | fluorochlorobromomethane | 109.9 | 109.4 | 0.5 |
CFCl | chlorofluoromethylene | 107.6 | 107.0 | 0.6 |
HF/6-311+G(3df,2p) for aFCCl
Histogram of angle differences (in degrees) vs number of species
Differences greater than 0.55 are in the 0.55 bin. Differences less than -0.05 are in the -0.05 bin.
10 | ||||||||||||||||||||||||||||||||||||||||
8 | ||||||||||||||||||||||||||||||||||||||||
6 | ||||||||||||||||||||||||||||||||||||||||
4 | ||||||||||||||||||||||||||||||||||||||||
2 | ||||||||||||||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||||||||||||||
-0.05 | 0 | 0.05 | 0.1 | 0.15 | 0.2 | 0.25 | 0.3 | 0.35 | 0.4 | 0.45 | 0.5 | 0.55 | ||||||||||||||||||||||||||||
Angle difference calc. - exp. (degrees) |
Species | Name | Difference (degrees) | |
---|---|---|---|
Most negative difference | CFCl3 | Trichloromonofluoromethane | 0.1 |
Most positive difference | CFCl | chlorofluoromethylene | 0.6 |