Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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B1B95/daug-cc-pVDZ
5 | |||||||||||||||||||||||||||||||||||||
4 | |||||||||||||||||||||||||||||||||||||
3 | |||||||||||||||||||||||||||||||||||||
2 | |||||||||||||||||||||||||||||||||||||
1 | |||||||||||||||||||||||||||||||||||||
0 | |||||||||||||||||||||||||||||||||||||
1.61 | 1.61 | 1.62 | 1.62 | 1.63 | 1.63 | 1.64 | 1.64 | 1.65 | 1.65 | 1.66 | 1.66 | ||||||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.633 | 0.019 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | SiHF3 | trifluorosilane | 1.611 |
Highest value | HSiF | fluorosilylene | 1.660 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
HSiF | fluorosilylene | 1.660 | 1 | 2 |
SiH3F | monofluorosilane | 1.646 | 1 | 2 |
SiF2 | Silicon difluoride | 1.645 | 1 | 2 |
1.645 | 1 | 3 | ||
SiHF3 | trifluorosilane | 1.611 | 1 | 3 |
1.611 | 1 | 4 | ||
1.611 | 1 | 5 |