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 | 87.4 | 0.0 |
ClF3 | Chlorine trifluoride | 87.5 | 87.4 | 0.0 |
ClF3 | Chlorine trifluoride | 174.9 | 174.9 | 0.0 |
ClF3 | Chlorine trifluoride | 174.9 | 174.9 | 0.0 |
wB97X-D/aug-cc-pCVTZ for aFClF
Histogram of angle differences (in degrees) vs number of species
Differences greater than 0.011 are in the 0.011 bin. Differences less than -0.001 are in the -0.001 bin.
10 | ||||||||||||||||||||||||||||||||||||||||
8 | ||||||||||||||||||||||||||||||||||||||||
6 | ||||||||||||||||||||||||||||||||||||||||
4 | ||||||||||||||||||||||||||||||||||||||||
2 | ||||||||||||||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||||||||||||||
-0.001 | 0 | 0.001 | 0.002 | 0.003 | 0.004 | 0.005 | 0.006 | 0.007 | 0.008 | 0.009 | 0.01 | 0.011 | ||||||||||||||||||||||||||||
Angle difference calc. - exp. (degrees) |
Species | Name | Difference (degrees) | |
---|---|---|---|
Most negative difference | ClF3 | Chlorine trifluoride | 0.0 |
Most positive difference | ClF3 | Chlorine trifluoride | 0.0 |