Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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HSEh1PBE/3-21G*
8 | |||||||||||||||||||||||||||||||
7 | |||||||||||||||||||||||||||||||
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5 | |||||||||||||||||||||||||||||||
4 | |||||||||||||||||||||||||||||||
3 | |||||||||||||||||||||||||||||||
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1 | |||||||||||||||||||||||||||||||
0 | |||||||||||||||||||||||||||||||
1.54 | 1.56 | 1.58 | 1.60 | 1.62 | 1.64 | 1.66 | 1.68 | 1.70 | 1.72 | ||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.595 | 0.036 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | SiF3+ | Silicon trifluoride cation | 1.540 |
Highest value | SiF- | silicon monofluoride anion | 1.683 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
SiF- | silicon monofluoride anion | 1.683 | 1 | 2 |
SiF | silicon monofluoride | 1.612 | 1 | 2 |
SiF+ | silicon monofluoride cation | 1.556 | 1 | 2 |
HSiF | fluorosilylene | 1.611 | 1 | 2 |
SiH3F | monofluorosilane | 1.605 | 1 | 2 |
SiF2 | Silicon difluoride | 1.602 | 1 | 2 |
1.602 | 1 | 3 | ||
SiF2+ | Silicon difluoride cation | 1.557 | 1 | 2 |
1.557 | 1 | 3 | ||
SiH2F2 | difluorosilane | 1.593 | 1 | 2 |
1.593 | 1 | 3 | ||
SiF3 | Silicon trifluoride radical | 1.590 | 1 | 2 |
1.590 | 1 | 3 | ||
1.590 | 1 | 4 | ||
SiF3+ | Silicon trifluoride cation | 1.540 | 1 | 2 |
1.540 | 1 | 3 | ||
1.540 | 1 | 4 | ||
SiHF3 | trifluorosilane | 1.582 | 1 | 3 |
1.582 | 1 | 4 | ||
1.582 | 1 | 5 | ||
SiF5- | silicon pentafluoride anion | 1.652 | 1 | 2 |
1.625 | 1 | 3 | ||
1.625 | 1 | 4 | ||
1.625 | 1 | 5 | ||
1.652 | 1 | 6 |