IV.D.4. (XII.A.2.) |
Compare Angles
Click on entry for experimental details.
Species | Name | Experimental Angle | Calculated Angle | Difference |
---|---|---|---|---|
NF2 | Difluoroamino radical | 104.2 | 103.2 | 1.0 |
NF3 | Nitrogen trifluoride | 102.4 | 102.0 | 0.3 |
NHF2 | difluoramine | 102.9 | 103.2 | -0.3 |
NHF2 | difluoramine | 102.9 | 103.2 | -0.3 |
F3NO | Nitrogen trifluoride oxide | 100.8 | 100.9 | -0.1 |
M06-2X/6-311+G(3df,2p) for aFNF
Histogram of angle differences (in degrees) vs number of species
Differences greater than 2 are in the 2 bin. Differences less than -0.4 are in the -0.4 bin.
10 | ||||||||||||||||||||||||||||||||||||||||
8 | ||||||||||||||||||||||||||||||||||||||||
6 | ||||||||||||||||||||||||||||||||||||||||
4 | ||||||||||||||||||||||||||||||||||||||||
2 | ||||||||||||||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||||||||||||||
-0.4 | -0.2 | 0 | 0.2 | 0.4 | 0.6 | 0.8 | 1 | 1.2 | 1.4 | 1.6 | 1.8 | 2 | ||||||||||||||||||||||||||||
Angle difference calc. - exp. (degrees) |
Species | Name | Difference (degrees) | |
---|---|---|---|
Most negative difference | NHF2 | difluoramine | -0.3 |
Most positive difference | NF2 | Difluoroamino radical | 1.0 |