IV.D.4. (XII.A.2.) |
Compare Angles
Click on entry for experimental details.
Species | Name | Experimental Angle | Calculated Angle | Difference |
---|---|---|---|---|
CF3OF | Trifluoromethylhypofluorite | 104.8 | 102.2 | 2.6 |
CF3OF | Trifluoromethylhypofluorite | 104.8 | 102.2 | 2.6 |
BLYP/3-21G for aCOF
Histogram of angle differences (in degrees) vs number of species
Differences greater than 5.5 are in the 5.5 bin. Differences less than -0.5 are in the -0.5 bin.
10 | ||||||||||||||||||||||||||||||||||||||||
8 | ||||||||||||||||||||||||||||||||||||||||
6 | ||||||||||||||||||||||||||||||||||||||||
4 | ||||||||||||||||||||||||||||||||||||||||
2 | ||||||||||||||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||||||||||||||
-0.5 | 0 | 0.5 | 1 | 1.5 | 2 | 2.5 | 3 | 3.5 | 4 | 4.5 | 5 | 5.5 | ||||||||||||||||||||||||||||
Angle difference calc. - exp. (degrees) |
Species | Name | Difference (degrees) | |
---|---|---|---|
Most negative difference | CF3OF | Trifluoromethylhypofluorite | 2.6 |
Most positive difference | CF3OF | Trifluoromethylhypofluorite | 2.6 |