IV.D.4. (XII.A.2.) |
Compare Angles
Click on entry for experimental details.
Species | Name | Experimental Angle | Calculated Angle | Difference |
---|---|---|---|---|
HClO4 | perchloric acid | 115.0 | 115.3 | -0.3 |
HClO4 | perchloric acid | 115.0 | 104.8 | 10.2 |
HClO4 | perchloric acid | 114.6 | 113.8 | 0.8 |
HClO4 | perchloric acid | 114.6 | 113.4 | 1.2 |
HClO4 | perchloric acid | 101.5 | 100.8 | 0.7 |
HClO4 | perchloric acid | 101.5 | 101.3 | 0.2 |
HClO4 | perchloric acid | 104.2 | 104.7 | -0.5 |
HClO4 | perchloric acid | 104.2 | 115.2 | -11.0 |
ClFO3 | Perchloryl fluoride | 115.3 | 115.6 | -0.3 |
OClO | Chlorine dioxide | 117.4 | 117.6 | -0.2 |
OClO | Chlorine dioxide | 117.4 | 117.8 | -0.4 |
M06-2X/6-31G* for aOClO
Histogram of angle differences (in degrees) vs number of species
Differences greater than 12 are in the 12 bin. Differences less than -12 are in the -12 bin.
10 | ||||||||||||||||||||||||||||||||||||||||
8 | ||||||||||||||||||||||||||||||||||||||||
6 | ||||||||||||||||||||||||||||||||||||||||
4 | ||||||||||||||||||||||||||||||||||||||||
2 | ||||||||||||||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||||||||||||||
-12 | -10 | -8 | -6 | -4 | -2 | 0 | 2 | 4 | 6 | 8 | 10 | 12 | ||||||||||||||||||||||||||||
Angle difference calc. - exp. (degrees) |
Species | Name | Difference (degrees) | |
---|---|---|---|
Most negative difference | HClO4 | perchloric acid | -11.0 |
Most positive difference | HClO4 | perchloric acid | 10.2 |