Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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MP2=FULL/3-21G*
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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 | ||||||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.543 | 0.053 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | PO2+ | Phosphorus dioxide cation | 1.475 |
Highest value | H2POH | Phosphinous acid | 1.654 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
PO- | phosphorus monoxide anion | 1.603 | 1 | 2 |
PO | Phosphorus monoxide | 1.532 | 1 | 2 |
PO+ | phosphorus monoxide cation | 1.483 | 1 | 2 |
H3PO | Phosphine oxide | 1.501 | 1 | 2 |
H2POH | Phosphinous acid | 1.654 | 1 | 2 |
PO2- | Phosphorus dioxide anion | 1.530 | 1 | 2 |
1.530 | 1 | 3 | ||
PO2 | Phosphorus dioxide | 1.499 | 1 | 2 |
1.499 | 1 | 3 | ||
PO2+ | Phosphorus dioxide cation | 1.475 | 1 | 2 |
1.475 | 1 | 3 | ||
PPO | Phosphorus oxide phosphide | 1.505 | 2 | 3 |
OPCl | Phosphorus oxychloride | 1.500 | 1 | 2 |
PO4--- | phosphate | 1.587 | 1 | 2 |
1.587 | 1 | 3 | ||
1.587 | 1 | 4 | ||
1.587 | 1 | 5 | ||
H3PO4 | Phosphoric Acid | 1.478 | 1 | 2 |
1.598 | 1 | 3 | ||
1.598 | 1 | 4 | ||
1.598 | 1 | 5 |