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/cc-pVDZ
5 | |||||||||||||||||||||||||||||||
4 | |||||||||||||||||||||||||||||||
3 | |||||||||||||||||||||||||||||||
2 | |||||||||||||||||||||||||||||||
1 | |||||||||||||||||||||||||||||||
0 | |||||||||||||||||||||||||||||||
1.59 | 1.60 | 1.61 | 1.62 | 1.63 | 1.64 | 1.65 | 1.66 | 1.67 | 1.68 | ||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.632 | 0.022 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | SiF2+ | Silicon difluoride cation | 1.595 |
Highest value | HSiF | fluorosilylene | 1.663 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
HSiF | fluorosilylene | 1.663 | 1 | 2 |
SiH3F | monofluorosilane | 1.651 | 1 | 2 |
SiF2 | Silicon difluoride | 1.654 | 1 | 2 |
1.654 | 1 | 3 | ||
SiF2+ | Silicon difluoride cation | 1.595 | 1 | 2 |
1.595 | 1 | 3 | ||
SiH2F2 | difluorosilane | 1.637 | 1 | 2 |
1.637 | 1 | 3 | ||
SiHF3 | trifluorosilane | 1.623 | 1 | 3 |
1.623 | 1 | 4 | ||
1.623 | 1 | 5 |