Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
You are here: Calculated > Geometry > Calculated geometry > One type of bond |
TPSSh/cc-pVDZ
5 | |||||||||||||||||||||||||||||||
4 | |||||||||||||||||||||||||||||||
3 | |||||||||||||||||||||||||||||||
2 | |||||||||||||||||||||||||||||||
1 | |||||||||||||||||||||||||||||||
0 | |||||||||||||||||||||||||||||||
1.56 | 1.58 | 1.60 | 1.62 | 1.64 | 1.66 | 1.68 | 1.70 | 1.72 | 1.74 | ||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.639 | 0.036 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | SiF3+ | Silicon trifluoride cation | 1.577 |
Highest value | SiF5- | silicon pentafluoride anion | 1.704 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
SiF | silicon monofluoride | 1.668 | 1 | 2 |
SiF+ | silicon monofluoride cation | 1.600 | 1 | 2 |
HSiF | fluorosilylene | 1.666 | 1 | 2 |
SiH3F | monofluorosilane | 1.653 | 1 | 2 |
SiF2 | Silicon difluoride | 1.657 | 1 | 2 |
1.657 | 1 | 3 | ||
SiF2+ | Silicon difluoride cation | 1.599 | 1 | 2 |
1.599 | 1 | 3 | ||
SiH2F2 | difluorosilane | 1.640 | 1 | 2 |
1.640 | 1 | 3 | ||
SiF3 | Silicon trifluoride radical | 1.639 | 1 | 2 |
1.639 | 1 | 3 | ||
1.639 | 1 | 4 | ||
SiF3+ | Silicon trifluoride cation | 1.577 | 1 | 2 |
1.577 | 1 | 3 | ||
1.577 | 1 | 4 | ||
SiHF3 | trifluorosilane | 1.627 | 1 | 3 |
1.627 | 1 | 4 | ||
1.627 | 1 | 5 | ||
SiF5- | silicon pentafluoride anion | 1.704 | 1 | 2 |
1.674 | 1 | 3 | ||
1.674 | 1 | 4 | ||
1.674 | 1 | 5 | ||
1.704 | 1 | 6 |