| |
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/aug-cc-pVDZ
| 8 | |
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|||||||||||||
| 7 | |
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
||||||||||||||
| 6 | |
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
||||||||||||||
| 5 | |
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
||||||||||||||
| 4 | |
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
||||||||||||||
| 3 | |
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
||||||||||||||
| 2 | |
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
||||||||||||||
| 1 | |
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
||||||||||||||||
| 0 | |
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|||||||||||||||||
| 1.67 | 1.68 | 1.69 | 1.70 | 1.71 | 1.72 | 1.73 | 1.74 | 1.75 | 1.76 | 1.77 | 1.78 | ||||||||||||||||||||||||||
| bond lengths (Å) | |||||||||||||||||||||||||||||||||||||
| Average bond length | Standard deviation |
|---|---|
| 1.699 | 0.035 |
| Species | Name | Bond Length (Å) | |
|---|---|---|---|
| Lowest value | SeF6 | Selenium hexafluoride | 1.671 |
| Highest value | SeF4 | Selenium tetrafluoride | 1.761 |
| Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
|---|---|---|---|---|
| SeF | Selenium monofluoride | 1.738 | 1 | 2 |
| SeF2 | Selenium difluoride | 1.723 | 1 | 2 |
| 1.723 | 1 | 3 | ||
| SeF4 | Selenium tetrafluoride | 1.761 | 1 | 2 |
| 1.761 | 1 | 3 | ||
| 1.674 | 1 | 4 | ||
| 1.674 | 1 | 5 | ||
| SeF6 | Selenium hexafluoride | 1.671 | 1 | 2 |
| 1.671 | 1 | 3 | ||
| 1.671 | 1 | 4 | ||
| 1.671 | 1 | 5 | ||
| 1.671 | 1 | 6 | ||
| 1.671 | 1 | 7 |