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 | 107.3 | -2.5 |
B3LYPultrafine/aug-cc-pVTZ for aCOF
Histogram of angle differences (in degrees) vs number of species
Differences greater than 3.5 are in the 3.5 bin. Differences less than -2.5 are in the -2.5 bin.
10 | ||||||||||||||||||||||||||||||||||||||||
8 | ||||||||||||||||||||||||||||||||||||||||
6 | ||||||||||||||||||||||||||||||||||||||||
4 | ||||||||||||||||||||||||||||||||||||||||
2 | ||||||||||||||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||||||||||||||
-2.5 | -2 | -1.5 | -1 | -0.5 | 0 | 0.5 | 1 | 1.5 | 2 | 2.5 | 3 | 3.5 | ||||||||||||||||||||||||||||
Angle difference calc. - exp. (degrees) |
Species | Name | Difference (degrees) | |
---|---|---|---|
Most negative difference | CF3OF | Trifluoromethylhypofluorite | -2.5 |
Most positive difference | CF3OF | Trifluoromethylhypofluorite | -2.5 |