Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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CID/6-31G
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5 | ||||||||||||||||||||||||||||||||||||||||
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2 | ||||||||||||||||||||||||||||||||||||||||
1 | ||||||||||||||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||||||||||||||
1.60 | 1.62 | 1.64 | 1.66 | 1.68 | 1.70 | 1.72 | 1.74 | 1.76 | 1.78 | 1.80 | 1.82 | 1.84 | ||||||||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.678 | 0.040 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | SiF3+ | Silicon trifluoride cation | 1.615 |
Highest value | SiF- | silicon monofluoride anion | 1.801 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
SiF- | silicon monofluoride anion | 1.801 | 1 | 2 |
SiF | silicon monofluoride | 1.713 | 1 | 2 |
SiF+ | silicon monofluoride cation | 1.643 | 1 | 2 |
HSiF | fluorosilylene | 1.711 | 1 | 2 |
SiH3F | monofluorosilane | 1.703 | 1 | 2 |
SiF2 | Silicon difluoride | 1.694 | 1 | 2 |
1.694 | 1 | 3 | ||
SiF2+ | Silicon difluoride cation | 1.642 | 1 | 2 |
1.642 | 1 | 3 | ||
SiH2F2 | difluorosilane | 1.682 | 1 | 2 |
1.682 | 1 | 3 | ||
SiF3 | Silicon trifluoride radical | 1.672 | 1 | 2 |
1.672 | 1 | 3 | ||
1.672 | 1 | 4 | ||
SiF3+ | Silicon trifluoride cation | 1.615 | 1 | 2 |
1.615 | 1 | 3 | ||
1.615 | 1 | 4 | ||
SiHF3 | trifluorosilane | 1.661 | 1 | 3 |
1.661 | 1 | 4 | ||
1.661 | 1 | 5 | ||
SiF5- | silicon pentafluoride anion | 1.719 | 1 | 2 |
1.692 | 1 | 3 | ||
1.692 | 1 | 4 | ||
1.692 | 1 | 5 | ||
1.719 | 1 | 6 |