Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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-0.010 | -0.005 | 0.000 | 0.005 | 0.010 | 0.015 | 0.020 | 0.025 | 0.030 | 0.035 | 0.040 | 0.045 | 0.050 | ||||||||||||||||||||||||||||
bond length difference calc. - exp. (Å) |
Species | Name | Difference (Å) | |
---|---|---|---|
Most negative difference | C2H6 | Ethane | -0.006 |
Most positive difference | C3 | carbon trimer | 0.021 |
Bond lengths
Click on entry for experimental details.
Species | Name | Experimental (Å) | Difference (Å) |
---|---|---|---|
C2H6 | Ethane | 1.536 | -0.006 |
C2H4 | Ethylene | 1.339 | -0.002 |
C2N2 | Cyanogen | 1.389 | 0.000 |
C2H | Ethynyl radical | 1.217 | 0.000 |
C2H3 | vinyl | 1.316 | 0.002 |
C2H2+ | acetylene cation | 1.253 | 0.002 |
C2 | Carbon diatomic | 1.243 | 0.006 |
C2H2 | Acetylene | 1.203 | 0.007 |
C3 | carbon trimer | 1.277 | 0.021 |