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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 | |
QCISD/6-31G
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| 1.56 | 1.58 | 1.60 | 1.62 | 1.64 | 1.66 | 1.68 | 1.70 | 1.72 | 1.74 | 1.76 | 1.78 | 1.80 | ||||||||||||||||||||||||||||
| bond lengths (Å) | ||||||||||||||||||||||||||||||||||||||||
| Average bond length | Standard deviation |
|---|---|
| 1.661 | 0.055 |
| Species | Name | Bond Length (Å) | |
|---|---|---|---|
| Lowest value | PO+ | phosphorus monoxide cation | 1.562 |
| Highest value | H2POH | Phosphinous acid | 1.800 |
| Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
|---|---|---|---|---|
| PO- | phosphorus monoxide anion | 1.703 | 1 | 2 |
| PO | Phosphorus monoxide | 1.630 | 1 | 2 |
| PO+ | phosphorus monoxide cation | 1.562 | 1 | 2 |
| H3PO | Phosphine oxide | 1.651 | 1 | 2 |
| H2POH | Phosphinous acid | 1.800 | 1 | 2 |
| PO2- | Phosphorus dioxide anion | 1.642 | 1 | 2 |
| 1.642 | 1 | 3 | ||
| PO2 | Phosphorus dioxide | 1.644 | 1 | 2 |
| 1.644 | 1 | 3 | ||
| PO2+ | Phosphorus dioxide cation | 1.594 | 1 | 2 |
| 1.594 | 1 | 3 | ||
| PPO | Phosphorus oxide phosphide | 1.650 | 2 | 3 |
| OPCl | Phosphorus oxychloride | 1.601 | 1 | 2 |
| PO4--- | phosphate | 1.700 | 1 | 2 |
| 1.700 | 1 | 3 | ||
| 1.700 | 1 | 4 | ||
| 1.700 | 1 | 5 | ||
| H3PO4 | Phosphoric Acid | 1.600 | 1 | 2 |
| 1.710 | 1 | 3 | ||
| 1.710 | 1 | 4 | ||
| 1.710 | 1 | 5 |