Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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ROHF/3-21G
5 | ||||||||||||||||||||||||||||||||||
4 | ||||||||||||||||||||||||||||||||||
3 | ||||||||||||||||||||||||||||||||||
2 | ||||||||||||||||||||||||||||||||||
1 | ||||||||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||||||||
1.54 | 1.56 | 1.58 | 1.60 | 1.62 | 1.64 | 1.66 | 1.68 | 1.70 | 1.72 | 1.74 | ||||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.606 | 0.043 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | SiF3+ | Silicon trifluoride cation | 1.560 |
Highest value | SiF- | silicon monofluoride anion | 1.717 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
SiF- | silicon monofluoride anion | 1.717 | 1 | 2 |
SiF | silicon monofluoride | 1.641 | 1 | 2 |
SiF2 | Silicon difluoride | 1.625 | 1 | 2 |
1.625 | 1 | 3 | ||
SiF2+ | Silicon difluoride cation | 1.579 | 1 | 2 |
1.579 | 1 | 3 | ||
SiF3 | Silicon trifluoride radical | 1.609 | 1 | 2 |
1.609 | 1 | 3 | ||
1.609 | 1 | 4 | ||
SiF3+ | Silicon trifluoride cation | 1.560 | 1 | 2 |
1.560 | 1 | 3 | ||
1.560 | 1 | 4 |