Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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-0.006 | -0.004 | -0.002 | 0.000 | 0.002 | 0.004 | 0.006 | 0.008 | 0.010 | 0.012 | 0.014 | 0.016 | 0.018 | ||||||||||||||||||||||||||||
bond length difference calc. - exp. (Å) |
Species | Name | Difference (Å) | |
---|---|---|---|
Most negative difference | C2H5F | fluoroethane | -0.005 |
Most positive difference | HFCO | formyl fluoride | 0.008 |
Bond lengths
Click on entry for experimental details.
Species | Name | Experimental (Å) | Difference (Å) |
---|---|---|---|
C2H5F | fluoroethane | 1.398 | -0.005 |
C2HF3 | Trifluoroethylene | 1.342 | 0.002 |
C2HF3 | Trifluoroethylene | 1.316 | 0.002 |
C2H2F2 | Ethene, 1,2-difluoro-, (E)- | 1.344 | 0.002 |
CH2FI | fluoroiodomethane | 1.362 | 0.003 |
C2H2F2 | Ethene, 1,2-difluoro-, (Z)- | 1.335 | 0.006 |
HFCO | formyl fluoride | 1.338 | 0.008 |