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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 | |
B97D3/3-21G
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| 1.75 | 1.76 | 1.77 | 1.78 | 1.79 | 1.80 | 1.81 | 1.82 | 1.83 | ||||||||||||||||||||
| bond lengths (Å) | ||||||||||||||||||||||||||||
| Average bond length | Standard deviation |
|---|---|
| 1.774 | 0.026 |
| Species | Name | Bond Length (Å) | |
|---|---|---|---|
| Lowest value | SeF6 | Selenium hexafluoride | 1.752 |
| Highest value | SeF4 | Selenium tetrafluoride | 1.818 |
| Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
|---|---|---|---|---|
| SeF | Selenium monofluoride | 1.800 | 1 | 2 |
| SeF2 | Selenium difluoride | 1.794 | 1 | 2 |
| 1.794 | 1 | 3 | ||
| SeF4 | Selenium tetrafluoride | 1.818 | 1 | 2 |
| 1.818 | 1 | 3 | ||
| 1.765 | 1 | 4 | ||
| 1.765 | 1 | 5 | ||
| SeF6 | Selenium hexafluoride | 1.752 | 1 | 2 |
| 1.752 | 1 | 3 | ||
| 1.752 | 1 | 4 | ||
| 1.752 | 1 | 5 | ||
| 1.752 | 1 | 6 | ||
| 1.752 | 1 | 7 |