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Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology |
You are here: Home > Geometry > Experimental > Same bond/angle many molecules OR Comparisons > Geometry > Bonds, angles > Same bond/angle many molecules |
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-0.030 | -0.025 | -0.020 | -0.015 | -0.010 | -0.005 | -0.000 | 0.005 | 0.010 | 0.015 | 0.020 | 0.025 | 0.030 | ||||||||||||||||||||||||||||
bond length difference calc. - exp. (Å) |
Species | Name | Difference (Å) | |
---|---|---|---|
Most negative difference | HCCF | Fluoroacetylene | -0.026 |
Most positive difference | C2 | Carbon diatomic | -0.003 |
Bond lengths
Click on entry for experimental details.
Species | Name | Experimental (Å) | Difference (Å) |
---|---|---|---|
HCCF | Fluoroacetylene | 1.198 | -0.026 |
C2H4 | Ethylene | 1.339 | -0.025 |
CH2CCH2 | allene | 1.308 | -0.016 |
C2H6 | Ethane | 1.536 | -0.011 |
C2H4O | Ethylene oxide | 1.459 | -0.010 |
CH3CH2SH | ethanethiol | 1.528 | -0.007 |
C2 | Carbon diatomic | 1.243 | -0.003 |