Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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MP4=FULL/3-21G
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1.60 | 1.65 | 1.70 | 1.75 | 1.80 | 1.85 | 1.90 | ||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.717 | 0.094 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | H3PO | Phosphine oxide | 1.602 |
Highest value | PO | Phosphorus monoxide | 1.849 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
PO | Phosphorus monoxide | 1.849 | 1 | 2 |
H3PO | Phosphine oxide | 1.602 | 1 | 2 |
H2POH | Phosphinous acid | 1.756 | 1 | 2 |
PPO | Phosphorus oxide phosphide | 1.662 | 2 | 3 |