IV.D.4. (XII.A.2.) |
Compare Angles
Click on entry for experimental details.
Species | Name | Experimental Angle | Calculated Angle | Difference |
---|---|---|---|---|
FNO | Nitrosyl fluoride | 110.1 | 113.8 | -3.7 |
FNO | Nitrosyl fluoride | 110.1 | 110.7 | -0.6 |
F3NO | Nitrogen trifluoride oxide | 117.1 | 117.2 | -0.1 |
PBEPBE/Def2TZVPP for aONF
Histogram of angle differences (in degrees) vs number of species
Differences greater than 2 are in the 2 bin. Differences less than -4 are in the -4 bin.
10 | ||||||||||||||||||||||||||||||||||||||||
8 | ||||||||||||||||||||||||||||||||||||||||
6 | ||||||||||||||||||||||||||||||||||||||||
4 | ||||||||||||||||||||||||||||||||||||||||
2 | ||||||||||||||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||||||||||||||
-4 | -3.5 | -3 | -2.5 | -2 | -1.5 | -1 | -0.5 | 0 | 0.5 | 1 | 1.5 | 2 | ||||||||||||||||||||||||||||
Angle difference calc. - exp. (degrees) |
Species | Name | Difference (degrees) | |
---|---|---|---|
Most negative difference | FNO | Nitrosyl fluoride | -3.7 |
Most positive difference | F3NO | Nitrogen trifluoride oxide | -0.1 |