IV.D.4. (XII.A.2.) |
Compare Bonds
18 10 19 16 31QCISD(T)=FULL/6-311+G(3df,2p) for rBrBr
Histogram of Bond length differences (in Å) vs number of species
Differences greater than 0.022 are in the 0.022 bin. Differences less than -0.002 are in the -0.002 bin.
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8 | ||||||||||||||||||||||||||||||||||||||||
6 | ||||||||||||||||||||||||||||||||||||||||
4 | ||||||||||||||||||||||||||||||||||||||||
2 | ||||||||||||||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||||||||||||||
-0.002 | 0.000 | 0.002 | 0.004 | 0.006 | 0.008 | 0.010 | 0.012 | 0.014 | 0.016 | 0.018 | 0.020 | 0.022 | ||||||||||||||||||||||||||||
bond length difference calc. - exp. (Å) |
Species | Name | Difference (Å) | |
---|---|---|---|
Most negative difference | Br2 | Bromine diatomic | 0.013 |
Most positive difference | Br2 | Bromine diatomic | 0.013 |
Bond lengths
Click on entry for experimental details.
Species | Name | Experimental (Å) | Difference (Å) |
---|---|---|---|
Br2 | Bromine diatomic | 2.281 | 0.013 |