Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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HF/6-311+G(3df,2p)
5 | ||||||||||||||||||||||||||||
4 | ||||||||||||||||||||||||||||
3 | ||||||||||||||||||||||||||||
2 | ||||||||||||||||||||||||||||
1 | ||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||
1.41 | 1.41 | 1.42 | 1.42 | 1.43 | 1.43 | 1.44 | 1.44 | 1.45 | ||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.428 | 0.012 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | F3PO | Phosphoryl fluoride | 1.410 |
Highest value | HPO | Hydrogen phosphorus oxide | 1.444 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
PO | Phosphorus monoxide | 1.438 | 1 | 2 |
HPO | Hydrogen phosphorus oxide | 1.444 | 1 | 2 |
OPCl | Phosphorus oxychloride | 1.425 | 1 | 2 |
F3PO | Phosphoryl fluoride | 1.410 | 1 | 2 |
Cl3PO | Phosphoryl chloride | 1.423 | 1 | 2 |