IV.D.4. (XII.A.2.) |
Compare Angles
Click on entry for experimental details.
Species | Name | Experimental Angle | Calculated Angle | Difference |
---|---|---|---|---|
ClF3 | Chlorine trifluoride | 87.5 | 120.0 | -32.6 |
ClF3 | Chlorine trifluoride | 87.5 | 87.5 | -0.0 |
ClF3 | Chlorine trifluoride | 87.5 | 120.0 | -32.6 |
ClF3 | Chlorine trifluoride | 87.5 | 87.5 | -0.0 |
ClF3 | Chlorine trifluoride | 174.9 | 120.0 | 54.9 |
ClF3 | Chlorine trifluoride | 174.9 | 174.9 | -0.0 |
ClF3 | Chlorine trifluoride | 174.9 | 120.0 | 54.9 |
ClF3 | Chlorine trifluoride | 174.9 | 174.9 | -0.0 |
ClOF3 | Chlorine trifluoride oxide | 87.9 | 86.3 | 1.6 |
HSEh1PBE/aug-cc-pVTZ for aFClF
Histogram of angle differences (in degrees) vs number of species
Differences greater than 80 are in the 80 bin. Differences less than -40 are in the -40 bin.
10 | ||||||||||||||||||||||||||||||||||||||||
8 | ||||||||||||||||||||||||||||||||||||||||
6 | ||||||||||||||||||||||||||||||||||||||||
4 | ||||||||||||||||||||||||||||||||||||||||
2 | ||||||||||||||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||||||||||||||
-40 | -30 | -20 | -10 | 0 | 10 | 20 | 30 | 40 | 50 | 60 | 70 | 80 | ||||||||||||||||||||||||||||
Angle difference calc. - exp. (degrees) |
Species | Name | Difference (degrees) | |
---|---|---|---|
Most negative difference | ClF3 | Chlorine trifluoride | -32.6 |
Most positive difference | ClF3 | Chlorine trifluoride | 54.9 |