Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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wB97X-D/cc-pVQZ
5 | ||||||||||||||||||||||||||||||||||||||||
4 | ||||||||||||||||||||||||||||||||||||||||
3 | ||||||||||||||||||||||||||||||||||||||||
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1 | ||||||||||||||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||||||||||||||
1.51 | 1.52 | 1.53 | 1.54 | 1.55 | 1.56 | 1.57 | 1.58 | 1.59 | 1.60 | 1.61 | 1.62 | 1.63 | ||||||||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.573 | 0.034 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | SiF3+ | Silicon trifluoride cation | 1.518 |
Highest value | HSiF | fluorosilylene | 1.613 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
SiF | silicon monofluoride | 1.612 | 1 | 2 |
SiF+ | silicon monofluoride cation | 1.535 | 1 | 2 |
HSiF | fluorosilylene | 1.613 | 1 | 2 |
SiH3F | monofluorosilane | 1.601 | 1 | 2 |
SiF2 | Silicon difluoride | 1.602 | 1 | 2 |
1.602 | 1 | 3 | ||
SiH2F2 | difluorosilane | 1.588 | 1 | 2 |
1.588 | 1 | 3 | ||
SiF3+ | Silicon trifluoride cation | 1.518 | 1 | 2 |
1.518 | 1 | 3 | ||
1.518 | 1 | 4 | ||
SiHF3 | trifluorosilane | 1.575 | 1 | 3 |
1.575 | 1 | 4 | ||
1.575 | 1 | 5 |