IV.D.4. (XII.A.2.) |
Compare Bonds
18 10 19 16 31CCSD=FULL/Def2TZVPP for rHI
Histogram of Bond length differences (in Å) vs number of species
Differences greater than 0.006 are in the 0.006 bin. Differences less than -0.018 are in the -0.018 bin.
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8 | ||||||||||||||||||||||||||||||||||||||||
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4 | ||||||||||||||||||||||||||||||||||||||||
2 | ||||||||||||||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||||||||||||||
-0.018 | -0.016 | -0.014 | -0.012 | -0.010 | -0.008 | -0.006 | -0.004 | -0.002 | 0.000 | 0.002 | 0.004 | 0.006 | ||||||||||||||||||||||||||||
bond length difference calc. - exp. (Å) |
Species | Name | Difference (Å) | |
---|---|---|---|
Most negative difference | HI+ | Hydrogen iodide cation | -0.017 |
Most positive difference | HI | Hydrogen iodide | -0.015 |
Bond lengths
Click on entry for experimental details.
Species | Name | Experimental (Å) | Difference (Å) |
---|---|---|---|
HI+ | Hydrogen iodide cation | 1.632 | -0.017 |
HI | Hydrogen iodide | 1.609 | -0.015 |