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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 | |
BLYP/Def2TZVPP
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| 1.59 | 1.60 | 1.61 | 1.62 | 1.63 | 1.64 | 1.65 | 1.66 | 1.67 | 1.68 | 1.69 | 1.70 | 1.71 | ||||||||||||||||||||||||||||
| bond lengths (Å) | ||||||||||||||||||||||||||||||||||||||||
| Average bond length | Standard deviation |
|---|---|
| 1.635 | 0.032 |
| Species | Name | Bond Length (Å) | |
|---|---|---|---|
| Lowest value | SiHF3 | trifluorosilane | 1.596 |
| Highest value | SiF5- | silicon pentafluoride anion | 1.696 |
| Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
|---|---|---|---|---|
| HSiF | fluorosilylene | 1.640 | 1 | 2 |
| SiH3F | monofluorosilane | 1.624 | 1 | 2 |
| SiF2 | Silicon difluoride | 1.630 | 1 | 2 |
| 1.630 | 1 | 3 | ||
| SiH2F2 | difluorosilane | 1.609 | 1 | 2 |
| 1.609 | 1 | 3 | ||
| SiHF3 | trifluorosilane | 1.596 | 1 | 3 |
| 1.596 | 1 | 4 | ||
| 1.596 | 1 | 5 | ||
| SiF5- | silicon pentafluoride anion | 1.696 | 1 | 2 |
| 1.654 | 1 | 3 | ||
| 1.654 | 1 | 4 | ||
| 1.654 | 1 | 5 | ||
| 1.696 | 1 | 6 |