Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
You are here: Calculated > Geometry > Calculated geometry > One type of bond |
HF/STO-3G
25 | ||||||||||||||||||||||||||||||||||||||||
20 | ||||||||||||||||||||||||||||||||||||||||
15 | ||||||||||||||||||||||||||||||||||||||||
10 | ||||||||||||||||||||||||||||||||||||||||
5 | ||||||||||||||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||||||||||||||
1.40 | 1.60 | 1.80 | 2.00 | 2.20 | 2.40 | 2.60 | 2.80 | 3.00 | 3.20 | 3.40 | 3.60 | 3.80 | ||||||||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.753 | 0.447 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | PF+ | phosphorus monofluoride cation | 1.546 |
Highest value | PF6 | Hexafluorophosphate neutral | 3.416 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
PF- | phosphorus monofluoride anion | 1.711 | 1 | 2 |
PF+ | phosphorus monofluoride cation | 1.546 | 1 | 2 |
PF2 | Phosphorus difluoride | 1.624 | 1 | 2 |
1.624 | 1 | 3 | ||
PF3 | Phosphorus trifluoride | 1.621 | 1 | 2 |
1.621 | 1 | 3 | ||
1.621 | 1 | 4 | ||
F3PO | Phosphoryl fluoride | 1.606 | 1 | 3 |
1.606 | 1 | 4 | ||
1.606 | 1 | 5 | ||
PF3CH2 | phosphorane, trifluoromethylene- | 1.617 | 1 | 3 |
1.607 | 1 | 4 | ||
1.607 | 1 | 5 | ||
PF5 | Phosphorus pentafluoride | 1.612 | 1 | 2 |
1.612 | 1 | 3 | ||
1.612 | 1 | 4 | ||
1.623 | 1 | 5 | ||
1.623 | 1 | 6 | ||
PF6- | Hexafluorophosphate ion | 1.640 | 1 | 2 |
1.640 | 1 | 3 | ||
1.640 | 1 | 4 | ||
1.640 | 1 | 5 | ||
1.640 | 1 | 6 | ||
1.640 | 1 | 7 | ||
PF6 | Hexafluorophosphate neutral | 1.617 | 1 | 2 |
1.617 | 1 | 3 | ||
1.788 | 1 | 4 | ||
1.788 | 1 | 5 | ||
3.416 | 1 | 6 | ||
3.416 | 1 | 7 |