IV.D.4. (XII.A.2.) |
Compare Angles
Click on entry for experimental details.
Species | Name | Experimental Angle | Calculated Angle | Difference |
---|---|---|---|---|
HFCO | formyl fluoride | 122.8 | 122.8 | -0.0 |
FCO | Carbonyl fluoride | 127.1 | 127.1 | 0.0 |
B1B95/cc-pVDZ for aFCO
Histogram of angle differences (in degrees) vs number of species
Differences greater than 0.015 are in the 0.015 bin. Differences less than -0.045 are in the -0.045 bin.
10 | ||||||||||||||||||||||||||||||||||||||||
8 | ||||||||||||||||||||||||||||||||||||||||
6 | ||||||||||||||||||||||||||||||||||||||||
4 | ||||||||||||||||||||||||||||||||||||||||
2 | ||||||||||||||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||||||||||||||
-0.045 | -0.04 | -0.035 | -0.03 | -0.025 | -0.02 | -0.015 | -0.01 | -0.005 | 0 | 0.005 | 0.01 | 0.015 | ||||||||||||||||||||||||||||
Angle difference calc. - exp. (degrees) |
Species | Name | Difference (degrees) | |
---|---|---|---|
Most negative difference | HFCO | formyl fluoride | -0.0 |
Most positive difference | FCO | Carbonyl fluoride | 0.0 |