IV.D.4. (XII.A.2.) |
Compare Bonds
18 10 19 16 31TPSSh/6-311G** for rHF
Histogram of Bond length differences (in Å) vs number of species
Differences greater than 0.007 are in the 0.007 bin. Differences less than -0.005 are in the -0.005 bin.
10 | ||||||||||||||||||||||||||||||||||||||||
8 | ||||||||||||||||||||||||||||||||||||||||
6 | ||||||||||||||||||||||||||||||||||||||||
4 | ||||||||||||||||||||||||||||||||||||||||
2 | ||||||||||||||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||||||||||||||
-0.005 | -0.004 | -0.003 | -0.002 | -0.001 | 0.000 | 0.001 | 0.002 | 0.003 | 0.004 | 0.005 | 0.006 | 0.007 | ||||||||||||||||||||||||||||
bond length difference calc. - exp. (Å) |
Species | Name | Difference (Å) | |
---|---|---|---|
Most negative difference | HF+ | hydrogen fluoride cation | -0.005 |
Most positive difference | HF | Hydrogen fluoride | 0.005 |
Bond lengths
Click on entry for experimental details.
Species | Name | Experimental (Å) | Difference (Å) |
---|---|---|---|
HF+ | hydrogen fluoride cation | 1.014 | -0.005 |
HF | Hydrogen fluoride | 0.917 | 0.005 |