Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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B2PLYP=FULLultrafine/aug-cc-pVTZ
5 | |||||||||||||||||||||||||||||||||||||
4 | |||||||||||||||||||||||||||||||||||||
3 | |||||||||||||||||||||||||||||||||||||
2 | |||||||||||||||||||||||||||||||||||||
1 | |||||||||||||||||||||||||||||||||||||
0 | |||||||||||||||||||||||||||||||||||||
1.58 | 1.58 | 1.59 | 1.59 | 1.60 | 1.60 | 1.61 | 1.61 | 1.62 | 1.62 | 1.63 | 1.63 | ||||||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.601 | 0.015 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | SiHF3 | trifluorosilane | 1.583 |
Highest value | HSiF | fluorosilylene | 1.626 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
HSiF | fluorosilylene | 1.626 | 1 | 2 |
SiH3F | monofluorosilane | 1.613 | 1 | 2 |
SiF2 | Silicon difluoride | 1.614 | 1 | 2 |
1.614 | 1 | 3 | ||
SiH2F2 | difluorosilane | 1.597 | 1 | 2 |
1.597 | 1 | 3 | ||
SiHF3 | trifluorosilane | 1.583 | 1 | 3 |
1.583 | 1 | 4 | ||
1.583 | 1 | 5 |