Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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CCSD(T)=FULL/aug-cc-pVQZ
5 | |||||||||||||||||||||||||||||||
4 | |||||||||||||||||||||||||||||||
3 | |||||||||||||||||||||||||||||||
2 | |||||||||||||||||||||||||||||||
1 | |||||||||||||||||||||||||||||||
0 | |||||||||||||||||||||||||||||||
1.52 | 1.54 | 1.56 | 1.58 | 1.60 | 1.62 | 1.64 | 1.66 | 1.68 | 1.70 | ||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.597 | 0.041 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | SiF+ | silicon monofluoride cation | 1.531 |
Highest value | SiF- | silicon monofluoride anion | 1.679 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
SiF- | silicon monofluoride anion | 1.679 | 1 | 2 |
SiF | silicon monofluoride | 1.605 | 1 | 2 |
SiF+ | silicon monofluoride cation | 1.531 | 1 | 2 |
HSiF | fluorosilylene | 1.606 | 1 | 2 |
SiH3F | monofluorosilane | 1.595 | 1 | 2 |
SiH2F2 | difluorosilane | 1.580 | 1 | 2 |
1.580 | 1 | 3 |