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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 | |
CID/SDD
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| 1.07 | 1.08 | 1.08 | 1.09 | 1.09 | 1.10 | 1.10 | 1.11 | 1.11 | ||||||||||||||||||||
| bond lengths (Å) | ||||||||||||||||||||||||||||
| Average bond length | Standard deviation |
|---|---|
| 1.095 | 0.008 |
| Species | Name | Bond Length (Å) | |
|---|---|---|---|
| Lowest value | C2H2 | Acetylene | 1.071 |
| Highest value | H2CO | Formaldehyde | 1.104 |
| Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
|---|---|---|---|---|
| CH4 | Methane | 1.103 | 1 | 2 |
| 1.103 | 1 | 3 | ||
| 1.103 | 1 | 4 | ||
| 1.103 | 1 | 5 | ||
| C2H2 | Acetylene | 1.071 | 1 | 3 |
| 1.071 | 2 | 4 | ||
| H2CO | Formaldehyde | 1.104 | 2 | 3 |
| 1.104 | 2 | 4 | ||
| C2H4 | Ethylene | 1.093 | 1 | 3 |
| 1.093 | 1 | 4 | ||
| 1.093 | 2 | 5 | ||
| 1.093 | 2 | 6 | ||
| C2H6 | Ethane | 1.104 | 1 | 3 |
| 1.104 | 1 | 4 | ||
| 1.104 | 1 | 5 | ||
| 1.104 | 2 | 6 | ||
| 1.104 | 2 | 7 | ||
| 1.104 | 2 | 8 | ||
| C3H5 | Allyl radical | 1.094 | 1 | 2 |
| 1.090 | 3 | 5 | ||
| 1.090 | 4 | 6 | ||
| 1.092 | 3 | 7 | ||
| 1.092 | 4 | 8 | ||
| C3H6 | Cyclopropane | 1.090 | 1 | 4 |
| 1.090 | 2 | 5 | ||
| 1.090 | 3 | 6 | ||
| 1.090 | 1 | 7 | ||
| 1.090 | 2 | 8 | ||
| 1.090 | 3 | 9 | ||
| CH2CHCH3 | Propene | 1.092 | 3 | 4 |
| 1.091 | 3 | 5 | ||
| 1.095 | 2 | 6 | ||
| 1.101 | 1 | 7 | ||
| 1.103 | 1 | 8 | ||
| 1.103 | 1 | 9 |