| |
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 | |
MP3/cc-pVDZ
| 8 | |
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
||||||||||||
| 7 | |
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|||||||||||||
| 6 | |
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|||||||||||||
| 5 | |
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|||||||||||||
| 4 | |
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|||||||||||||
| 3 | |
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|||||||||||||
| 2 | |
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|||||||||||||
| 1 | |
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
||||||||||||||
| 0 | |
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|||||||||||||||
| 1.70 | 1.71 | 1.72 | 1.73 | 1.74 | 1.75 | 1.76 | 1.77 | 1.78 | 1.79 | 1.80 | ||||||||||||||||||||||||
| bond lengths (Å) | ||||||||||||||||||||||||||||||||||
| Average bond length | Standard deviation |
|---|---|
| 1.728 | 0.030 |
| Species | Name | Bond Length (Å) | |
|---|---|---|---|
| Lowest value | SeF6 | Selenium hexafluoride | 1.708 |
| Highest value | SeF4 | Selenium tetrafluoride | 1.781 |
| Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
|---|---|---|---|---|
| SeF | Selenium monofluoride | 1.771 | 1 | 2 |
| SeF4 | Selenium tetrafluoride | 1.781 | 1 | 2 |
| 1.781 | 1 | 3 | ||
| 1.715 | 1 | 4 | ||
| 1.715 | 1 | 5 | ||
| SeF6 | Selenium hexafluoride | 1.708 | 1 | 2 |
| 1.708 | 1 | 3 | ||
| 1.708 | 1 | 4 | ||
| 1.708 | 1 | 5 | ||
| 1.708 | 1 | 6 | ||
| 1.708 | 1 | 7 |