Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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PBE1PBE/6-311G*
5 | |||||||||||||||||||||||||||||||||||||
4 | |||||||||||||||||||||||||||||||||||||
3 | |||||||||||||||||||||||||||||||||||||
2 | |||||||||||||||||||||||||||||||||||||
1 | |||||||||||||||||||||||||||||||||||||
0 | |||||||||||||||||||||||||||||||||||||
1.52 | 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 |
---|---|
1.603 | 0.046 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | SiF3+ | Silicon trifluoride cation | 1.531 |
Highest value | SiF- | silicon monofluoride anion | 1.715 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
SiF- | silicon monofluoride anion | 1.715 | 1 | 2 |
SiF | silicon monofluoride | 1.628 | 1 | 2 |
SiF+ | silicon monofluoride cation | 1.553 | 1 | 2 |
HSiF | fluorosilylene | 1.627 | 1 | 2 |
SiH3F | monofluorosilane | 1.615 | 1 | 2 |
SiF2 | Silicon difluoride | 1.617 | 1 | 2 |
1.617 | 1 | 3 | ||
SiF2+ | Silicon difluoride cation | 1.550 | 1 | 2 |
1.550 | 1 | 3 | ||
SiH2F2 | difluorosilane | 1.601 | 1 | 2 |
1.601 | 1 | 3 | ||
SiF3 | Silicon trifluoride radical | 1.598 | 1 | 2 |
1.598 | 1 | 3 | ||
1.598 | 1 | 4 | ||
SiF3+ | Silicon trifluoride cation | 1.531 | 1 | 2 |
1.531 | 1 | 3 | ||
1.531 | 1 | 4 | ||
SiHF3 | trifluorosilane | 1.588 | 1 | 3 |
1.588 | 1 | 4 | ||
1.588 | 1 | 5 | ||
SiF5- | silicon pentafluoride anion | 1.669 | 1 | 2 |
1.643 | 1 | 3 | ||
1.643 | 1 | 4 | ||
1.643 | 1 | 5 | ||
1.669 | 1 | 6 |