Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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B3LYP/CEP-121G*
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1.54 | 1.56 | 1.58 | 1.60 | 1.62 | 1.64 | 1.66 | 1.68 | 1.70 | 1.72 | 1.74 | 1.76 | 1.78 | ||||||||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.615 | 0.046 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | SiF3+ | Silicon trifluoride cation | 1.546 |
Highest value | SiF- | silicon monofluoride anion | 1.742 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
SiF- | silicon monofluoride anion | 1.742 | 1 | 2 |
SiF+ | silicon monofluoride cation | 1.570 | 1 | 2 |
HSiF | fluorosilylene | 1.647 | 1 | 2 |
SiH3F | monofluorosilane | 1.631 | 1 | 2 |
SiF2 | Silicon difluoride | 1.636 | 1 | 2 |
1.636 | 1 | 3 | ||
SiF2+ | Silicon difluoride cation | 1.567 | 1 | 2 |
1.567 | 1 | 3 | ||
SiH2F2 | difluorosilane | 1.616 | 1 | 2 |
1.616 | 1 | 3 | ||
SiF3 | Silicon trifluoride radical | 1.614 | 1 | 2 |
1.614 | 1 | 3 | ||
1.614 | 1 | 4 | ||
SiF3+ | Silicon trifluoride cation | 1.546 | 1 | 2 |
1.546 | 1 | 3 | ||
1.546 | 1 | 4 | ||
SiHF3 | trifluorosilane | 1.602 | 1 | 3 |
1.602 | 1 | 4 | ||
1.602 | 1 | 5 | ||
SiF4 | Silicon tetrafluoride | 1.589 | 1 | 2 |
1.589 | 1 | 3 | ||
1.589 | 1 | 4 | ||
1.589 | 1 | 5 | ||
SiF5- | silicon pentafluoride anion | 1.693 | 1 | 2 |
1.656 | 1 | 3 | ||
1.656 | 1 | 4 | ||
1.656 | 1 | 5 | ||
1.693 | 1 | 6 |