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 |
HF/6-31+G**
5 | ||||||||||||||||||||||||||||
4 | ||||||||||||||||||||||||||||
3 | ||||||||||||||||||||||||||||
2 | ||||||||||||||||||||||||||||
1 | ||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||
1.35 | 1.40 | 1.45 | 1.50 | 1.55 | 1.60 | 1.65 | 1.70 | 1.75 | ||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.507 | 0.073 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | PO+ | phosphorus monoxide cation | 1.397 |
Highest value | H2POH | Phosphinous acid | 1.653 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
PO- | phosphorus monoxide anion | 1.525 | 1 | 2 |
PO | Phosphorus monoxide | 1.456 | 1 | 2 |
PO+ | phosphorus monoxide cation | 1.397 | 1 | 2 |
H3PO | Phosphine oxide | 1.468 | 1 | 2 |
H2POH | Phosphinous acid | 1.653 | 1 | 2 |
PO2- | Phosphorus dioxide anion | 1.487 | 1 | 2 |
1.487 | 1 | 3 | ||
PO2+ | Phosphorus dioxide cation | 1.405 | 1 | 2 |
1.405 | 1 | 3 | ||
PPO | Phosphorus oxide phosphide | 1.446 | 2 | 3 |
OPCl | Phosphorus oxychloride | 1.442 | 1 | 2 |
PO4--- | phosphate | 1.572 | 1 | 2 |
1.572 | 1 | 3 | ||
1.572 | 1 | 4 | ||
1.572 | 1 | 5 | ||
H3PO4 | Phosphoric Acid | 1.453 | 1 | 2 |
1.576 | 1 | 3 | ||
1.576 | 1 | 4 | ||
1.576 | 1 | 5 |