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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 | |
PM3
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| 1.58 | 1.60 | 1.62 | 1.64 | 1.66 | 1.68 | 1.70 | 1.72 | 1.74 | 1.76 | 1.78 | ||||||||||||||||||||||||
| bond lengths (Å) | ||||||||||||||||||||||||||||||||||
| Average bond length | Standard deviation |
|---|---|
| 1.671 | 0.066 |
| Species | Name | Bond Length (Å) | |
|---|---|---|---|
| Lowest value | SiP | Silicon monophosphide | 1.585 |
| Highest value | SiP+ | Silicon monophosphide cation | 1.746 |
| Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
|---|---|---|---|---|
| SiP- | Silicon monophosphide anion | 1.680 | 1 | 2 |
| SiP | Silicon monophosphide | 1.585 | 1 | 2 |
| SiP+ | Silicon monophosphide cation | 1.746 | 1 | 2 |