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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 | |
ROHF/aug-cc-pVTZ
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| 1.48 | 1.50 | 1.52 | 1.54 | 1.56 | 1.58 | 1.60 | 1.62 | 1.64 | 1.66 | 1.68 | 1.70 | ||||||||||||||||||||||||||
| bond lengths (Å) | |||||||||||||||||||||||||||||||||||||
| Average bond length | Standard deviation |
|---|---|
| 1.554 | 0.050 |
| Species | Name | Bond Length (Å) | |
|---|---|---|---|
| Lowest value | SiF3+ | Silicon trifluoride cation | 1.500 |
| Highest value | SiF- | silicon monofluoride anion | 1.671 |
| Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
|---|---|---|---|---|
| SiF- | silicon monofluoride anion | 1.671 | 1 | 2 |
| SiF | silicon monofluoride | 1.595 | 1 | 2 |
| SiF2 | Silicon difluoride | 1.583 | 1 | 2 |
| 1.583 | 1 | 3 | ||
| SiF2+ | Silicon difluoride cation | 1.512 | 1 | 2 |
| 1.512 | 1 | 3 | ||
| SiF3 | Silicon trifluoride radical | 1.562 | 1 | 2 |
| 1.562 | 1 | 3 | ||
| 1.562 | 1 | 4 | ||
| SiF3+ | Silicon trifluoride cation | 1.500 | 1 | 2 |
| 1.500 | 1 | 3 | ||
| 1.500 | 1 | 4 |