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 | 109.0 | 1.1 |
CF2Cl2 | difluorodichloromethane | 109.5 | 109.1 | 0.4 |
CF3Cl | Methane, chlorotrifluoro- | 110.3 | 109.9 | 0.4 |
CH2FCl | fluorochloromethane | 110.1 | 110.1 | 0.0 |
CHFClBr | fluorochlorobromomethane | 109.9 | 109.2 | 0.7 |
CHFClBr | fluorochlorobromomethane | 109.9 | 109.2 | 0.7 |
CFCl | chlorofluoromethylene | 107.6 | 105.3 | 2.3 |
PBEPBE/6-31G for aFCCl
Histogram of angle differences (in degrees) vs number of species
Differences greater than 2.2 are in the 2.2 bin. Differences less than -0.2 are in the -0.2 bin.
10 | ||||||||||||||||||||||||||||||||||||||||
8 | ||||||||||||||||||||||||||||||||||||||||
6 | ||||||||||||||||||||||||||||||||||||||||
4 | ||||||||||||||||||||||||||||||||||||||||
2 | ||||||||||||||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||||||||||||||
-0.2 | 0 | 0.2 | 0.4 | 0.6 | 0.8 | 1 | 1.2 | 1.4 | 1.6 | 1.8 | 2 | 2.2 | ||||||||||||||||||||||||||||
Angle difference calc. - exp. (degrees) |
Species | Name | Difference (degrees) | |
---|---|---|---|
Most negative difference | CH2FCl | fluorochloromethane | 0.0 |
Most positive difference | CFCl | chlorofluoromethylene | 2.3 |