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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: Calculated > Geometry > Calculated geometry > One type of bond | |
MP2=FULL/cc-pCVDZ
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| 1.20 | 1.25 | 1.30 | 1.35 | 1.40 | 1.45 | 1.50 | 1.55 | 1.60 | ||||||||||||||||||||
| bond lengths (Å) | ||||||||||||||||||||||||||||
| Average bond length | Standard deviation |
|---|---|
| 1.350 | 0.094 |
| Species | Name | Bond Length (Å) | |
|---|---|---|---|
| Lowest value | C2H2 | Acetylene | 1.227 |
| Highest value | C2H6 | Ethane | 1.528 |
| Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
|---|---|---|---|---|
| C2 | Carbon diatomic | 1.274 | 1 | 2 |
| C2H2 | Acetylene | 1.227 | 1 | 2 |
| CCH2 | vinylidene | 1.315 | 1 | 2 |
| C2H4 | Ethylene | 1.343 | 1 | 2 |
| C2H6 | Ethane | 1.528 | 1 | 2 |
| CH2CCH2 | allene | 1.320 | 1 | 2 |
| 1.320 | 1 | 3 | ||
| C2H4O | Ethylene oxide | 1.472 | 2 | 3 |