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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 | |
CCSD=FULL/cc-pCVTZ
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| 1.52 | 1.54 | 1.56 | 1.58 | 1.60 | 1.62 | 1.64 | 1.66 | 1.68 | ||||||||||||||||||||
| bond lengths (Å) | ||||||||||||||||||||||||||||
| Average bond length | Standard deviation |
|---|---|
| 1.603 | 0.039 |
| Species | Name | Bond Length (Å) | |
|---|---|---|---|
| Lowest value | SiF+ | silicon monofluoride cation | 1.530 |
| Highest value | SiF5- | silicon pentafluoride anion | 1.659 |
| Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
|---|---|---|---|---|
| SiF | silicon monofluoride | 1.605 | 1 | 2 |
| SiF+ | silicon monofluoride cation | 1.530 | 1 | 2 |
| SiF3 | Silicon trifluoride radical | 1.573 | 1 | 2 |
| 1.573 | 1 | 3 | ||
| 1.573 | 1 | 4 | ||
| SiF5- | silicon pentafluoride anion | 1.659 | 1 | 2 |
| 1.620 | 1 | 3 | ||
| 1.620 | 1 | 4 | ||
| 1.620 | 1 | 5 | ||
| 1.659 | 1 | 6 |