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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/Def2TZVPP
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| 1.40 | 1.45 | 1.50 | 1.55 | 1.60 | 1.65 | 1.70 | 1.75 | 1.80 | 1.85 | 1.90 | 1.95 | 2.00 | ||||||||||||||||||||||||||||
| bond lengths (Å) | ||||||||||||||||||||||||||||||||||||||||
| Average bond length | Standard deviation |
|---|---|
| 1.563 | 0.165 |
| Species | Name | Bond Length (Å) | |
|---|---|---|---|
| Lowest value | HPO+ | Hydrogen phosphorus oxide cation | 1.429 |
| Highest value | PO4--- | phosphate | 1.921 |
| Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
|---|---|---|---|---|
| PO- | phosphorus monoxide anion | 1.515 | 1 | 2 |
| PO | Phosphorus monoxide | 1.482 | 1 | 2 |
| PO+ | phosphorus monoxide cation | 1.432 | 1 | 2 |
| HPO | Hydrogen phosphorus oxide | 1.485 | 1 | 2 |
| HPO+ | Hydrogen phosphorus oxide cation | 1.429 | 1 | 2 |
| H3PO | Phosphine oxide | 1.478 | 1 | 2 |
| H2POH | Phosphinous acid | 1.645 | 1 | 2 |
| PO2- | Phosphorus dioxide anion | 1.509 | 1 | 2 |
| 1.509 | 1 | 3 | ||
| PO2 | Phosphorus dioxide | 1.467 | 1 | 2 |
| 1.467 | 1 | 3 | ||
| PO2+ | Phosphorus dioxide cation | 1.451 | 1 | 2 |
| 1.451 | 1 | 3 | ||
| PPO | Phosphorus oxide phosphide | 1.469 | 2 | 3 |
| OPCl | Phosphorus oxychloride | 1.475 | 1 | 2 |
| PO4--- | phosphate | 1.921 | 1 | 2 |
| 1.921 | 1 | 3 | ||
| 1.921 | 1 | 4 | ||
| 1.921 | 1 | 5 | ||
| F3PO | Phosphoryl fluoride | 1.446 | 1 | 2 |
| Cl3PO | Phosphoryl chloride | 1.462 | 1 | 2 |
| H3PO4 | Phosphoric Acid | 1.463 | 1 | 2 |
| 1.584 | 1 | 3 | ||
| 1.584 | 1 | 4 | ||
| 1.584 | 1 | 5 |