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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=FULL/STO-3G
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| 1.52 | 1.54 | 1.56 | 1.58 | 1.60 | 1.62 | 1.64 | 1.66 | 1.68 | 1.70 | 1.72 | 1.74 | 1.76 | ||||||||||||||||||||||||||||
| bond lengths (Å) | ||||||||||||||||||||||||||||||||||||||||
| Average bond length | Standard deviation |
|---|---|
| 1.635 | 0.080 |
| Species | Name | Bond Length (Å) | |
|---|---|---|---|
| Lowest value | H3PO4 | Phosphoric Acid | 1.534 |
| Highest value | H2POH | Phosphinous acid | 1.736 |
| Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
|---|---|---|---|---|
| PO- | phosphorus monoxide anion | 1.621 | 1 | 2 |
| PO | Phosphorus monoxide | 1.560 | 1 | 2 |
| PO+ | phosphorus monoxide cation | 1.565 | 1 | 2 |
| H3PO | Phosphine oxide | 1.570 | 1 | 2 |
| H2POH | Phosphinous acid | 1.736 | 1 | 2 |
| PO2- | Phosphorus dioxide anion | 1.614 | 1 | 2 |
| 1.614 | 1 | 3 | ||
| PO2+ | Phosphorus dioxide cation | 1.548 | 1 | 2 |
| 1.548 | 1 | 3 | ||
| PPO | Phosphorus oxide phosphide | 1.548 | 2 | 3 |
| OPCl | Phosphorus oxychloride | 1.551 | 1 | 2 |
| PO4--- | phosphate | 1.727 | 1 | 2 |
| 1.727 | 1 | 3 | ||
| 1.727 | 1 | 4 | ||
| 1.727 | 1 | 5 | ||
| H3PO4 | Phosphoric Acid | 1.534 | 1 | 2 |
| 1.720 | 1 | 3 | ||
| 1.720 | 1 | 4 | ||
| 1.720 | 1 | 5 |