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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 | |
AM1
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| 1.53 | 1.53 | 1.53 | 1.54 | 1.54 | 1.54 | 1.54 | 1.54 | 1.55 | 1.55 | 1.55 | 1.55 | ||||||||||||||||||||||||||
| bond lengths (Å) | |||||||||||||||||||||||||||||||||||||
| Average bond length | Standard deviation |
|---|---|
| 1.538 | 0.007 |
| Species | Name | Bond Length (Å) | |
|---|---|---|---|
| Lowest value | PF2 | Phosphorus difluoride | 1.530 |
| Highest value | PF5 | Phosphorus pentafluoride | 1.549 |
| Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
|---|---|---|---|---|
| PF2 | Phosphorus difluoride | 1.530 | 1 | 2 |
| 1.530 | 1 | 3 | ||
| PF5 | Phosphorus pentafluoride | 1.535 | 1 | 2 |
| 1.535 | 1 | 3 | ||
| 1.535 | 1 | 4 | ||
| 1.549 | 1 | 5 | ||
| 1.549 | 1 | 6 |