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 | 174.8 | 0.1 |
ClF3 | Chlorine trifluoride | 174.9 | 174.8 | 0.1 |
ROMP2/aug-cc-pV(T+d)Z for aFClF
Histogram of angle differences (in degrees) vs number of species
Differences greater than 0.11 are in the 0.11 bin. Differences less than -0.01 are in the -0.01 bin.
10 | ||||||||||||||||||||||||||||||||||||||||
8 | ||||||||||||||||||||||||||||||||||||||||
6 | ||||||||||||||||||||||||||||||||||||||||
4 | ||||||||||||||||||||||||||||||||||||||||
2 | ||||||||||||||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||||||||||||||
-0.01 | 0 | 0.01 | 0.02 | 0.03 | 0.04 | 0.05 | 0.06 | 0.07 | 0.08 | 0.09 | 0.1 | 0.11 | ||||||||||||||||||||||||||||
Angle difference calc. - exp. (degrees) |
Species | Name | Difference (degrees) | |
---|---|---|---|
Most negative difference | ClF3 | Chlorine trifluoride | 0.0 |
Most positive difference | ClF3 | Chlorine trifluoride | 0.1 |