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/aug-cc-pVDZ
5 | ||||||||||||||||||||||||||||||||||
4 | ||||||||||||||||||||||||||||||||||
3 | ||||||||||||||||||||||||||||||||||
2 | ||||||||||||||||||||||||||||||||||
1 | ||||||||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||||||||
1.56 | 1.58 | 1.60 | 1.62 | 1.64 | 1.66 | 1.68 | 1.70 | 1.72 | 1.74 | 1.76 | ||||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.615 | 0.043 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | SiF3+ | Silicon trifluoride cation | 1.562 |
Highest value | SiF- | silicon monofluoride anion | 1.737 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
SiF- | silicon monofluoride anion | 1.737 | 1 | 2 |
SiF | silicon monofluoride | 1.662 | 1 | 2 |
SiF+ | silicon monofluoride cation | 1.587 | 1 | 2 |
SiH3F | monofluorosilane | 1.649 | 1 | 2 |
SiF2 | Silicon difluoride | 1.650 | 1 | 2 |
1.650 | 1 | 3 | ||
SiF2+ | Silicon difluoride cation | 1.585 | 1 | 2 |
1.585 | 1 | 3 | ||
SiF3 | Silicon trifluoride radical | 1.627 | 1 | 2 |
1.627 | 1 | 3 | ||
1.627 | 1 | 4 | ||
SiF3+ | Silicon trifluoride cation | 1.562 | 1 | 2 |
1.562 | 1 | 3 | ||
1.562 | 1 | 4 | ||
SiF4 | Silicon tetrafluoride | 1.600 | 1 | 2 |
1.600 | 1 | 3 | ||
1.600 | 1 | 4 | ||
1.600 | 1 | 5 |