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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/Sadlej_pVTZ
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| 1.34 | 1.36 | 1.38 | 1.40 | 1.42 | 1.44 | 1.46 | 1.48 | 1.50 | ||||||||||||||||||||
| bond lengths (Å) | ||||||||||||||||||||||||||||
| Average bond length | Standard deviation |
|---|---|
| 1.429 | 0.052 |
| Species | Name | Bond Length (Å) | |
|---|---|---|---|
| Lowest value | C5H5N | Pyridine | 1.340 |
| Highest value | CH3NH2 | methyl amine | 1.468 |
| Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
|---|---|---|---|---|
| CH3NH2 | methyl amine | 1.468 | 1 | 2 |
| CH3NHCH3 | Dimethylamine | 1.460 | 1 | 3 |
| 1.460 | 1 | 4 | ||
| N(CH3)3 | Trimethylamine | 1.456 | 1 | 2 |
| 1.456 | 1 | 3 | ||
| 1.456 | 1 | 4 | ||
| C5H5N | Pyridine | 1.340 | 1 | 3 |
| 1.340 | 1 | 4 |