Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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TPSSh/6-31G
5 | ||||||||||||||||||||||||||||||||||||||||
4 | ||||||||||||||||||||||||||||||||||||||||
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1 | ||||||||||||||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||||||||||||||
1.62 | 1.63 | 1.64 | 1.65 | 1.66 | 1.67 | 1.68 | 1.69 | 1.70 | 1.71 | 1.72 | 1.73 | 1.74 | ||||||||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.685 | 0.029 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | SiF3+ | Silicon trifluoride cation | 1.630 |
Highest value | SiF5- | silicon pentafluoride anion | 1.728 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
SiF | silicon monofluoride | 1.721 | 1 | 2 |
SiF+ | silicon monofluoride cation | 1.655 | 1 | 2 |
HSiF | fluorosilylene | 1.719 | 1 | 2 |
SiH3F | monofluorosilane | 1.707 | 1 | 2 |
SiF2 | Silicon difluoride | 1.705 | 1 | 2 |
1.705 | 1 | 3 | ||
SiF2+ | Silicon difluoride cation | 1.660 | 1 | 2 |
1.660 | 1 | 3 | ||
SiH2F2 | difluorosilane | 1.689 | 1 | 2 |
1.689 | 1 | 3 | ||
SiF3 | Silicon trifluoride radical | 1.687 | 1 | 2 |
1.687 | 1 | 3 | ||
1.687 | 1 | 4 | ||
SiF3+ | Silicon trifluoride cation | 1.630 | 1 | 2 |
1.630 | 1 | 3 | ||
1.630 | 1 | 4 | ||
SiHF3 | trifluorosilane | 1.671 | 1 | 3 |
1.671 | 1 | 4 | ||
1.671 | 1 | 5 | ||
SiF5- | silicon pentafluoride anion | 1.728 | 1 | 2 |
1.705 | 1 | 3 | ||
1.705 | 1 | 4 | ||
1.705 | 1 | 5 | ||
1.728 | 1 | 6 |