Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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10 | ||||||||||||||||||||||||||||||||||||||||
8 | ||||||||||||||||||||||||||||||||||||||||
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0 | ||||||||||||||||||||||||||||||||||||||||
-0.020 | -0.010 | 0.000 | 0.010 | 0.020 | 0.030 | 0.040 | 0.050 | 0.060 | 0.070 | 0.080 | 0.090 | 0.100 | ||||||||||||||||||||||||||||
bond length difference calc. - exp. (Å) |
Species | Name | Difference (Å) | |
---|---|---|---|
Most negative difference | BrCN | Cyanogen bromide | -0.017 |
Most positive difference | CF3Br | Bromotrifluoromethane | 0.059 |
Bond lengths
Click on entry for experimental details.
Species | Name | Experimental (Å) | Difference (Å) |
---|---|---|---|
BrCN | Cyanogen bromide | 1.789 | -0.017 |
CBr4 | Carbon tetrabromide | 1.942 | -0.008 |
CH3Br | methyl bromide | 1.934 | 0.010 |
CH2Br2 | dibromomethane | 1.925 | 0.010 |
CH2BrCl | Methane, bromochloro- | 1.928 | 0.022 |
C2H5Br | Ethyl bromide | 1.950 | 0.028 |
CHFClBr | fluorochlorobromomethane | 1.928 | 0.046 |
CBr | Carbon monobromide | 1.821 | 0.054 |
CF3Br | Bromotrifluoromethane | 1.923 | 0.059 |