IV.D.4. (XII.A.2.) |
Compare Angles
Click on entry for experimental details.
Species | Name | Experimental Angle | Calculated Angle | Difference |
---|---|---|---|---|
CFCl3 | Trichloromonofluoromethane | 108.4 | 108.3 | 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 |
CHFClBr | fluorochlorobromomethane | 109.9 | 109.6 | 0.3 |
CFCl | chlorofluoromethylene | 107.6 | 106.7 | 0.9 |
B3LYP/6-311+G(3df,2p) for aFCCl
Histogram of angle differences (in degrees) vs number of species
Differences greater than 1.1 are in the 1.1 bin. Differences less than -0.1 are in the -0.1 bin.
10 | ||||||||||||||||||||||||||||||||||||||||
8 | ||||||||||||||||||||||||||||||||||||||||
6 | ||||||||||||||||||||||||||||||||||||||||
4 | ||||||||||||||||||||||||||||||||||||||||
2 | ||||||||||||||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||||||||||||||
-0.1 | 0 | 0.1 | 0.2 | 0.3 | 0.4 | 0.5 | 0.6 | 0.7 | 0.8 | 0.9 | 1 | 1.1 | ||||||||||||||||||||||||||||
Angle difference calc. - exp. (degrees) |
Species | Name | Difference (degrees) | |
---|---|---|---|
Most negative difference | CF3Cl | Methane, chlorotrifluoro- | 0.1 |
Most positive difference | CFCl | chlorofluoromethylene | 0.9 |