Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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HF/CEP-31G
14 | |||||||||||||||||||||||||
12 | |||||||||||||||||||||||||
10 | |||||||||||||||||||||||||
8 | |||||||||||||||||||||||||
6 | |||||||||||||||||||||||||
4 | |||||||||||||||||||||||||
2 | |||||||||||||||||||||||||
0 | |||||||||||||||||||||||||
1.55 | 1.60 | 1.65 | 1.70 | 1.75 | 1.80 | 1.85 | 1.90 | ||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.670 | 0.050 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | SiF3+ | Silicon trifluoride cation | 1.595 |
Highest value | SiF- | silicon monofluoride anion | 1.838 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
SiF- | silicon monofluoride anion | 1.838 | 1 | 2 |
SiF | silicon monofluoride | 1.734 | 1 | 2 |
SiF+ | silicon monofluoride cation | 1.642 | 1 | 2 |
HSiF | fluorosilylene | 1.728 | 1 | 2 |
SiH3F | monofluorosilane | 1.705 | 1 | 2 |
SiF2 | Silicon difluoride | 1.700 | 1 | 2 |
1.700 | 1 | 3 | ||
SiF2+ | Silicon difluoride cation | 1.630 | 1 | 2 |
1.630 | 1 | 3 | ||
SiH2F2 | difluorosilane | 1.679 | 1 | 2 |
1.679 | 1 | 3 | ||
SiF3 | Silicon trifluoride radical | 1.665 | 1 | 2 |
1.665 | 1 | 3 | ||
1.665 | 1 | 4 | ||
SiF3+ | Silicon trifluoride cation | 1.595 | 1 | 2 |
1.595 | 1 | 3 | ||
1.595 | 1 | 4 | ||
SiHF3 | trifluorosilane | 1.652 | 1 | 3 |
1.652 | 1 | 4 | ||
1.652 | 1 | 5 | ||
SiF4 | Silicon tetrafluoride | 1.628 | 1 | 2 |
1.628 | 1 | 3 | ||
1.628 | 1 | 4 | ||
1.628 | 1 | 5 | ||
SiF5- | silicon pentafluoride anion | 1.716 | 1 | 2 |
1.690 | 1 | 3 | ||
1.690 | 1 | 4 | ||
1.690 | 1 | 5 | ||
1.716 | 1 | 6 |