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/CEP-31G*
5 | |||||||||||||||||||||||||||||||
4 | |||||||||||||||||||||||||||||||
3 | |||||||||||||||||||||||||||||||
2 | |||||||||||||||||||||||||||||||
1 | |||||||||||||||||||||||||||||||
0 | |||||||||||||||||||||||||||||||
1.56 | 1.57 | 1.58 | 1.59 | 1.60 | 1.61 | 1.62 | 1.63 | 1.64 | 1.65 | ||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.594 | 0.022 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | F3PO | Phosphoryl fluoride | 1.569 |
Highest value | PF | phosphorus monofluoride | 1.637 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
PF | phosphorus monofluoride | 1.637 | 1 | 2 |
PF3 | Phosphorus trifluoride | 1.611 | 1 | 2 |
1.611 | 1 | 3 | ||
1.611 | 1 | 4 | ||
F3PO | Phosphoryl fluoride | 1.569 | 1 | 3 |
1.569 | 1 | 4 | ||
1.569 | 1 | 5 | ||
PF5 | Phosphorus pentafluoride | 1.577 | 1 | 2 |
1.577 | 1 | 3 | ||
1.577 | 1 | 4 | ||
1.611 | 1 | 5 | ||
1.611 | 1 | 6 |