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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 | |
M06-2X/6-31+G**
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| 1.46 | 1.48 | 1.50 | 1.52 | 1.54 | 1.56 | 1.58 | 1.60 | 1.62 | 1.64 | 1.66 | 1.68 | 1.70 | ||||||||||||||||||||||||||||
| bond lengths (Å) | ||||||||||||||||||||||||||||||||||||||||
| Average bond length | Standard deviation |
|---|---|
| 1.540 | 0.072 |
| Species | Name | Bond Length (Å) | |
|---|---|---|---|
| Lowest value | OPCl | Phosphorus oxychloride | 1.468 |
| Highest value | H2POH | Phosphinous acid | 1.674 |
| Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
|---|---|---|---|---|
| PO | Phosphorus monoxide | 1.484 | 1 | 2 |
| H3PO | Phosphine oxide | 1.490 | 1 | 2 |
| H2POH | Phosphinous acid | 1.674 | 1 | 2 |
| PPO | Phosphorus oxide phosphide | 1.476 | 2 | 3 |
| OPCl | Phosphorus oxychloride | 1.468 | 1 | 2 |
| H3PO4 | Phosphoric Acid | 1.473 | 1 | 2 |
| 1.597 | 1 | 3 | ||
| 1.597 | 1 | 4 | ||
| 1.597 | 1 | 5 |