Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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0 | ||||||||||||||||||||||||||||||||||||||||
-0.015 | -0.010 | -0.005 | 0.000 | 0.005 | 0.010 | 0.015 | 0.020 | 0.025 | 0.030 | 0.035 | 0.040 | 0.045 | ||||||||||||||||||||||||||||
bond length difference calc. - exp. (Å) |
Species | Name | Difference (Å) | |
---|---|---|---|
Most negative difference | HCCBr | bromoacetylene | -0.014 |
Most positive difference | CH2BrF | Methane, bromofluoro- | 0.032 |
Bond lengths
Click on entry for experimental details.
Species | Name | Experimental (Å) | Difference (Å) |
---|---|---|---|
HCCBr | bromoacetylene | 1.792 | -0.014 |
BrCN | Cyanogen bromide | 1.789 | -0.012 |
CBr4 | Carbon tetrabromide | 1.942 | -0.007 |
CH2Br2 | dibromomethane | 1.925 | 0.004 |
CH3Br | methyl bromide | 1.934 | 0.005 |
CBrCl3 | Methane, bromotrichloro- | 1.944 | 0.006 |
CH2BrCl | Methane, bromochloro- | 1.928 | 0.008 |
C2H5Br | Ethyl bromide | 1.950 | 0.009 |
CF3Br | Bromotrifluoromethane | 1.923 | 0.012 |
CBr | Carbon monobromide | 1.821 | 0.013 |
CHFClBr | fluorochlorobromomethane | 1.928 | 0.014 |
CH2BrF | Methane, bromofluoro- | 1.915 | 0.032 |