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 | 122.9 | -0.1 |
FCO | Carbonyl fluoride | 127.1 | 127.3 | -0.2 |
B3PW91/cc-pVDZ for aFCO
Histogram of angle differences (in degrees) vs number of species
Differences greater than 0.02 are in the 0.02 bin. Differences less than -0.22 are in the -0.22 bin.
10 | ||||||||||||||||||||||||||||||||||||||||
8 | ||||||||||||||||||||||||||||||||||||||||
6 | ||||||||||||||||||||||||||||||||||||||||
4 | ||||||||||||||||||||||||||||||||||||||||
2 | ||||||||||||||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||||||||||||||
-0.22 | -0.2 | -0.18 | -0.16 | -0.14 | -0.12 | -0.1 | -0.08 | -0.06 | -0.04 | -0.02 | 2.77555756156289E-17 | 0.02 | ||||||||||||||||||||||||||||
Angle difference calc. - exp. (degrees) |
Species | Name | Difference (degrees) | |
---|---|---|---|
Most negative difference | FCO | Carbonyl fluoride | -0.2 |
Most positive difference | HFCO | formyl fluoride | -0.1 |