IV.D.4. (XII.A.2.) |
Compare Bonds
18 10 19 16 31HF/6-311+G(3df,2p) for rFS
Histogram of Bond length differences (in Å) vs number of species
Differences greater than 0.005 are in the 0.005 bin. Differences less than -0.055 are in the -0.055 bin.
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8 | ||||||||||||||||||||||||||||||||||||||||
6 | ||||||||||||||||||||||||||||||||||||||||
4 | ||||||||||||||||||||||||||||||||||||||||
2 | ||||||||||||||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||||||||||||||
-0.055 | -0.050 | -0.045 | -0.040 | -0.035 | -0.030 | -0.025 | -0.020 | -0.015 | -0.010 | -0.005 | 0.000 | 0.005 | ||||||||||||||||||||||||||||
bond length difference calc. - exp. (Å) |
Species | Name | Difference (Å) | |
---|---|---|---|
Most negative difference | FSN | Thiazyl fluoride | -0.055 |
Most positive difference | SFCl | Sulfur chloride fluoride | -0.033 |
Bond lengths
Click on entry for experimental details.
Species | Name | Experimental (Å) | Difference (Å) |
---|---|---|---|
FSN | Thiazyl fluoride | 1.643 | -0.055 |
SFCl | Sulfur chloride fluoride | 1.606 | -0.033 |