IV.D.4. (XII.A.2.) |
Compare Angles
Click on entry for experimental details.
Species | Name | Experimental Angle | Calculated Angle | Difference |
---|---|---|---|---|
CF2Cl2 | difluorodichloromethane | 109.5 | 109.2 | 0.3 |
CF3Cl | Methane, chlorotrifluoro- | 110.3 | 110.8 | -0.5 |
CHFClBr | fluorochlorobromomethane | 109.9 | 108.7 | 1.2 |
CHFClBr | fluorochlorobromomethane | 109.9 | 108.7 | 1.2 |
CFCl | chlorofluoromethylene | 107.6 | 105.5 | 2.1 |
wB97X-D/CEP-121G for aFCCl
Histogram of angle differences (in degrees) vs number of species
Differences greater than 5 are in the 5 bin. Differences less than -1 are in the -1 bin.
10 | ||||||||||||||||||||||||||||||||||||||||
8 | ||||||||||||||||||||||||||||||||||||||||
6 | ||||||||||||||||||||||||||||||||||||||||
4 | ||||||||||||||||||||||||||||||||||||||||
2 | ||||||||||||||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||||||||||||||
-1 | -0.5 | 0 | 0.5 | 1 | 1.5 | 2 | 2.5 | 3 | 3.5 | 4 | 4.5 | 5 | ||||||||||||||||||||||||||||
Angle difference calc. - exp. (degrees) |
Species | Name | Difference (degrees) | |
---|---|---|---|
Most negative difference | CF3Cl | Methane, chlorotrifluoro- | -0.5 |
Most positive difference | CFCl | chlorofluoromethylene | 2.1 |