| |
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/6-31G(2df,p)
| 5 | |
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|||||||||||||
| 4 | |
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|||||||||||||
| 3 | |
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|||||||||||||
| 2 | |
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
||||||||||||||||
| 1 | |
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|||||||||||||||||
| 0 | |
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
||||||||||||||||||
| 1.60 | 1.61 | 1.62 | 1.63 | 1.64 | 1.65 | 1.66 | 1.67 | 1.68 | 1.69 | 1.70 | 1.71 | ||||||||||||||||||||||||||
| bond lengths (Å) | |||||||||||||||||||||||||||||||||||||
| Average bond length | Standard deviation |
|---|---|
| 1.644 | 0.028 |
| Species | Name | Bond Length (Å) | |
|---|---|---|---|
| Lowest value | AsF3H+ | Arsenic trifluoride, protonated | 1.605 |
| Highest value | AsF | Arsenic monofluoride | 1.699 |
| Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
|---|---|---|---|---|
| AsF | Arsenic monofluoride | 1.699 | 1 | 2 |
| AsF3 | Arsenic trifluoride | 1.668 | 1 | 2 |
| 1.668 | 1 | 3 | ||
| 1.668 | 1 | 4 | ||
| AsF3H+ | Arsenic trifluoride, protonated | 1.605 | 1 | 3 |
| 1.605 | 1 | 4 | ||
| 1.605 | 1 | 5 | ||
| AsF5 | Arsenic pentafluoride | 1.636 | 1 | 2 |
| 1.636 | 1 | 3 | ||
| 1.636 | 1 | 4 | ||
| 1.652 | 1 | 5 | ||
| 1.652 | 1 | 6 |