Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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B1B95/6-311G**
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1.42 | 1.44 | 1.46 | 1.48 | 1.50 | 1.52 | 1.54 | 1.56 | 1.58 | 1.60 | 1.62 | 1.64 | 1.66 | ||||||||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.502 | 0.065 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | PO+ | phosphorus monoxide cation | 1.424 |
Highest value | H2POH | Phosphinous acid | 1.653 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
PO- | phosphorus monoxide anion | 1.555 | 1 | 2 |
PO | Phosphorus monoxide | 1.482 | 1 | 2 |
PO+ | phosphorus monoxide cation | 1.424 | 1 | 2 |
HPO | Hydrogen phosphorus oxide | 1.488 | 1 | 2 |
H3PO | Phosphine oxide | 1.481 | 1 | 2 |
H2POH | Phosphinous acid | 1.653 | 1 | 2 |
PO2- | Phosphorus dioxide anion | 1.512 | 1 | 2 |
1.512 | 1 | 3 | ||
PO2+ | Phosphorus dioxide cation | 1.431 | 1 | 2 |
1.431 | 1 | 3 | ||
PPO | Phosphorus oxide phosphide | 1.472 | 2 | 3 |
OPCl | Phosphorus oxychloride | 1.463 | 1 | 2 |
F3PO | Phosphoryl fluoride | 1.442 | 1 | 2 |
Cl3PO | Phosphoryl chloride | 1.457 | 1 | 2 |
H3PO4 | Phosphoric Acid | 1.465 | 1 | 2 |
1.592 | 1 | 3 | ||
1.592 | 1 | 4 | ||
1.592 | 1 | 5 |