Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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QCISD(T)=FULL/aug-cc-pVQZ
5 | |||||||||||||||||||||||||||||||
4 | |||||||||||||||||||||||||||||||
3 | |||||||||||||||||||||||||||||||
2 | |||||||||||||||||||||||||||||||
1 | |||||||||||||||||||||||||||||||
0 | |||||||||||||||||||||||||||||||
1.53 | 1.54 | 1.55 | 1.56 | 1.57 | 1.58 | 1.59 | 1.60 | 1.61 | 1.62 | ||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.581 | 0.021 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | SiF+ | silicon monofluoride cation | 1.532 |
Highest value | HSiF | fluorosilylene | 1.607 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
SiF | silicon monofluoride | 1.606 | 1 | 2 |
SiF+ | silicon monofluoride cation | 1.532 | 1 | 2 |
HSiF | fluorosilylene | 1.607 | 1 | 2 |
SiH3F | monofluorosilane | 1.596 | 1 | 2 |
SiF2 | Silicon difluoride | 1.594 | 1 | 2 |
1.594 | 1 | 3 | ||
SiH2F2 | difluorosilane | 1.581 | 1 | 2 |
1.581 | 1 | 3 | ||
SiHF3 | trifluorosilane | 1.567 | 1 | 3 |
1.567 | 1 | 4 | ||
1.567 | 1 | 5 |