IV.D.4. (XII.A.2.) |
Compare Angles
Click on entry for experimental details.
Species | Name | Experimental Angle | Calculated Angle | Difference |
---|---|---|---|---|
CH2F2 | Methane, difluoro- | 108.9 | 108.9 | -0.0 |
CID/cc-pV(T+d)Z for aHCF
Histogram of angle differences (in degrees) vs number of species
Differences greater than 0.025 are in the 0.025 bin. Differences less than -0.035 are in the -0.035 bin.
10 | ||||||||||||||||||||||||||||||||||||||||
8 | ||||||||||||||||||||||||||||||||||||||||
6 | ||||||||||||||||||||||||||||||||||||||||
4 | ||||||||||||||||||||||||||||||||||||||||
2 | ||||||||||||||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||||||||||||||
-0.035 | -0.03 | -0.025 | -0.02 | -0.015 | -0.01 | -0.005 | 0 | 0.005 | 0.01 | 0.015 | 0.02 | 0.025 | ||||||||||||||||||||||||||||
Angle difference calc. - exp. (degrees) |
Species | Name | Difference (degrees) | |
---|---|---|---|
Most negative difference | CH2F2 | Methane, difluoro- | -0.0 |
Most positive difference | CH2F2 | Methane, difluoro- | -0.0 |