IV.D.4. (XII.A.2.) |
Compare Angles
Click on entry for experimental details.
Species | Name | Experimental Angle | Calculated Angle | Difference |
---|---|---|---|---|
CH3F | Methyl fluoride | 108.7 | 108.8 | -0.1 |
C2H4F2 | 1,2-difluoroethane | 108.2 | 108.7 | -0.5 |
C2H4F2 | 1,2-difluoroethane | 108.2 | 110.8 | -2.6 |
C2H4F2 | 1,2-difluoroethane | 109.6 | 108.7 | 0.9 |
C2H4F2 | 1,2-difluoroethane | 107.8 | 108.7 | -0.9 |
MP3/daug-cc-pVTZ for aHCF
Histogram of angle differences (in degrees) vs number of species
Differences greater than 3 are in the 3 bin. Differences less than -3 are in the -3 bin.
10 | ||||||||||||||||||||||||||||||||||||||||
8 | ||||||||||||||||||||||||||||||||||||||||
6 | ||||||||||||||||||||||||||||||||||||||||
4 | ||||||||||||||||||||||||||||||||||||||||
2 | ||||||||||||||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||||||||||||||
-3 | -2.5 | -2 | -1.5 | -1 | -0.5 | 0 | 0.5 | 1 | 1.5 | 2 | 2.5 | 3 | ||||||||||||||||||||||||||||
Angle difference calc. - exp. (degrees) |
Species | Name | Difference (degrees) | |
---|---|---|---|
Most negative difference | C2H4F2 | 1,2-difluoroethane | -2.6 |
Most positive difference | C2H4F2 | 1,2-difluoroethane | 0.9 |