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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 | |
MP2/3-21G
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| 1.58 | 1.60 | 1.62 | 1.64 | 1.66 | 1.68 | 1.70 | 1.72 | 1.74 | 1.76 | ||||||||||||||||||||||
| bond lengths (Å) | |||||||||||||||||||||||||||||||
| Average bond length | Standard deviation |
|---|---|
| 1.630 | 0.033 |
| Species | Name | Bond Length (Å) | |
|---|---|---|---|
| Lowest value | SiF3+ | Silicon trifluoride cation | 1.581 |
| Highest value | SiF- | silicon monofluoride anion | 1.736 |
| Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
|---|---|---|---|---|
| SiF- | silicon monofluoride anion | 1.736 | 1 | 2 |
| SiF | silicon monofluoride | 1.659 | 1 | 2 |
| SiF+ | silicon monofluoride cation | 1.601 | 1 | 2 |
| HSiF | fluorosilylene | 1.656 | 1 | 2 |
| SiH3F | monofluorosilane | 1.656 | 1 | 2 |
| SiF2 | Silicon difluoride | 1.644 | 1 | 2 |
| 1.644 | 1 | 3 | ||
| SiF2+ | Silicon difluoride cation | 1.603 | 1 | 2 |
| 1.603 | 1 | 3 | ||
| SiH2F2 | difluorosilane | 1.638 | 1 | 2 |
| 1.638 | 1 | 3 | ||
| SiF3 | Silicon trifluoride radical | 1.629 | 1 | 2 |
| 1.629 | 1 | 3 | ||
| 1.629 | 1 | 4 | ||
| SiF3+ | Silicon trifluoride cation | 1.581 | 1 | 2 |
| 1.581 | 1 | 3 | ||
| 1.581 | 1 | 4 | ||
| SiHF3 | trifluorosilane | 1.620 | 1 | 3 |
| 1.620 | 1 | 4 | ||
| 1.620 | 1 | 5 | ||
| SiF4 | Silicon tetrafluoride | 1.603 | 1 | 2 |
| 1.603 | 1 | 3 | ||
| 1.603 | 1 | 4 | ||
| 1.603 | 1 | 5 | ||
| SiF5- | silicon pentafluoride anion | 1.675 | 1 | 2 |
| 1.645 | 1 | 3 | ||
| 1.645 | 1 | 4 | ||
| 1.645 | 1 | 5 | ||
| 1.675 | 1 | 6 |