| |
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 | |
B2PLYP/3-21G*
| 5 | |
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
||||||||||||||
| 4 | |
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|||||||||||||||
| 3 | |
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|||||||||||||||
| 2 | |
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
||||||||||||||||||||
| 1 | |
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
||||||||||||||||||||||
| 0 | |
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
||||||||||||||||||||||
| 1.54 | 1.55 | 1.56 | 1.57 | 1.58 | 1.59 | 1.60 | 1.61 | 1.62 | 1.63 | 1.64 | 1.65 | 1.66 | ||||||||||||||||||||||||||||
| bond lengths (Å) | ||||||||||||||||||||||||||||||||||||||||
| Average bond length | Standard deviation |
|---|---|
| 1.592 | 0.032 |
| Species | Name | Bond Length (Å) | |
|---|---|---|---|
| Lowest value | SiF3+ | Silicon trifluoride cation | 1.540 |
| Highest value | SiF5- | silicon pentafluoride anion | 1.654 |
| Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
|---|---|---|---|---|
| SiF | silicon monofluoride | 1.612 | 1 | 2 |
| SiF+ | silicon monofluoride cation | 1.556 | 1 | 2 |
| HSiF | fluorosilylene | 1.610 | 1 | 2 |
| SiH3F | monofluorosilane | 1.605 | 1 | 2 |
| SiF2 | Silicon difluoride | 1.601 | 1 | 2 |
| 1.601 | 1 | 3 | ||
| SiF2+ | Silicon difluoride cation | 1.557 | 1 | 2 |
| 1.557 | 1 | 3 | ||
| SiH2F2 | difluorosilane | 1.593 | 1 | 2 |
| 1.593 | 1 | 3 | ||
| SiF3 | Silicon trifluoride radical | 1.590 | 1 | 2 |
| 1.590 | 1 | 3 | ||
| 1.590 | 1 | 4 | ||
| SiF3+ | Silicon trifluoride cation | 1.540 | 1 | 2 |
| 1.540 | 1 | 3 | ||
| 1.540 | 1 | 4 | ||
| SiHF3 | trifluorosilane | 1.582 | 1 | 3 |
| 1.582 | 1 | 4 | ||
| 1.582 | 1 | 5 | ||
| SiF5- | silicon pentafluoride anion | 1.654 | 1 | 2 |
| 1.626 | 1 | 3 | ||
| 1.626 | 1 | 4 | ||
| 1.626 | 1 | 5 | ||
| 1.654 | 1 | 6 |