Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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LSDA/6-31G
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4 | ||||||||||||||||||||||||||||||||||
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0 | ||||||||||||||||||||||||||||||||||
1.62 | 1.64 | 1.66 | 1.68 | 1.70 | 1.72 | 1.74 | 1.76 | 1.78 | 1.80 | 1.82 | ||||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.670 | 0.040 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | SiF3+ | Silicon trifluoride cation | 1.623 |
Highest value | SiF- | silicon monofluoride anion | 1.789 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
SiF- | silicon monofluoride anion | 1.789 | 1 | 2 |
SiF | silicon monofluoride | 1.712 | 1 | 2 |
SiF+ | silicon monofluoride cation | 1.653 | 1 | 2 |
SiH3F | monofluorosilane | 1.698 | 1 | 2 |
SiF2 | Silicon difluoride | 1.699 | 1 | 2 |
1.699 | 1 | 3 | ||
SiF2+ | Silicon difluoride cation | 1.656 | 1 | 2 |
1.656 | 1 | 3 | ||
SiF3 | Silicon trifluoride radical | 1.680 | 1 | 2 |
1.680 | 1 | 3 | ||
1.680 | 1 | 4 | ||
SiF3+ | Silicon trifluoride cation | 1.623 | 1 | 2 |
1.623 | 1 | 3 | ||
1.623 | 1 | 4 | ||
SiF4 | Silicon tetrafluoride | 1.646 | 1 | 2 |
1.646 | 1 | 3 | ||
1.646 | 1 | 4 | ||
1.646 | 1 | 5 |