IV.D.4. (XII.A.2.) |
Compare Angles
Click on entry for experimental details.
Species | Name | Experimental Angle | Calculated Angle | Difference |
---|---|---|---|---|
ClNO | Nitrosyl chloride | 113.3 | 112.9 | 0.4 |
ClNO | Nitrosyl chloride | 113.3 | 112.9 | 0.4 |
ClNO2 | Nitryl chloride | 114.7 | 114.9 | -0.2 |
HF/6-31G(2df,p) for aONCl
Histogram of angle differences (in degrees) vs number of species
Differences greater than 0.4 are in the 0.4 bin. Differences less than -0.2 are in the -0.2 bin.
10 | ||||||||||||||||||||||||||||||||||||||||
8 | ||||||||||||||||||||||||||||||||||||||||
6 | ||||||||||||||||||||||||||||||||||||||||
4 | ||||||||||||||||||||||||||||||||||||||||
2 | ||||||||||||||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||||||||||||||
-0.2 | -0.15 | -0.1 | -0.05 | 0 | 0.05 | 0.1 | 0.15 | 0.2 | 0.25 | 0.3 | 0.35 | 0.4 | ||||||||||||||||||||||||||||
Angle difference calc. - exp. (degrees) |
Species | Name | Difference (degrees) | |
---|---|---|---|
Most negative difference | ClNO2 | Nitryl chloride | -0.2 |
Most positive difference | ClNO | Nitrosyl chloride | 0.4 |