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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 | |
CCSD(T)/cc-pVDZ
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| 1.45 | 1.50 | 1.55 | 1.60 | 1.65 | 1.70 | 1.75 | 1.80 | ||||||||||||||||||
| bond lengths (Å) | |||||||||||||||||||||||||
| Average bond length | Standard deviation |
|---|---|
| 1.557 | 0.073 |
| Species | Name | Bond Length (Å) | |
|---|---|---|---|
| Lowest value | PO+ | phosphorus monoxide cation | 1.467 |
| Highest value | H2POH | Phosphinous acid | 1.707 |
| Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
|---|---|---|---|---|
| PO- | phosphorus monoxide anion | 1.602 | 1 | 2 |
| PO+ | phosphorus monoxide cation | 1.467 | 1 | 2 |
| H3PO | Phosphine oxide | 1.513 | 1 | 2 |
| H2POH | Phosphinous acid | 1.707 | 1 | 2 |
| PO2- | Phosphorus dioxide anion | 1.548 | 1 | 2 |
| 1.548 | 1 | 3 | ||
| PO2+ | Phosphorus dioxide cation | 1.477 | 1 | 2 |
| 1.477 | 1 | 3 | ||
| PPO | Phosphorus oxide phosphide | 1.513 | 2 | 3 |
| H3PO4 | Phosphoric Acid | 1.494 | 1 | 2 |
| 1.631 | 1 | 3 | ||
| 1.631 | 1 | 4 | ||
| 1.631 | 1 | 5 |