Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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CCD/daug-cc-pVTZ
5 | ||||||||||||||||||||||||||||||||||
4 | ||||||||||||||||||||||||||||||||||
3 | ||||||||||||||||||||||||||||||||||
2 | ||||||||||||||||||||||||||||||||||
1 | ||||||||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||||||||
1.57 | 1.58 | 1.58 | 1.59 | 1.59 | 1.60 | 1.60 | 1.61 | 1.61 | 1.62 | 1.62 | ||||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.593 | 0.014 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | SiHF3 | trifluorosilane | 1.576 |
Highest value | HSiF | fluorosilylene | 1.618 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
HSiF | fluorosilylene | 1.618 | 1 | 2 |
SiH3F | monofluorosilane | 1.605 | 1 | 2 |
SiF2 | Silicon difluoride | 1.604 | 1 | 2 |
1.604 | 1 | 3 | ||
SiH2F2 | difluorosilane | 1.590 | 1 | 2 |
1.590 | 1 | 3 | ||
SiHF3 | trifluorosilane | 1.576 | 1 | 3 |
1.576 | 1 | 4 | ||
1.576 | 1 | 5 |