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 |
MP3=FULL/6-31G(2df,p)
6 | |||||||||||||||||||||||||||||||
5 | |||||||||||||||||||||||||||||||
4 | |||||||||||||||||||||||||||||||
3 | |||||||||||||||||||||||||||||||
2 | |||||||||||||||||||||||||||||||
1 | |||||||||||||||||||||||||||||||
0 | |||||||||||||||||||||||||||||||
1.50 | 1.52 | 1.54 | 1.56 | 1.58 | 1.60 | 1.62 | 1.64 | 1.66 | 1.68 | ||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.571 | 0.042 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | SiF3+ | Silicon trifluoride cation | 1.511 |
Highest value | SiF5- | silicon pentafluoride anion | 1.647 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
SiF | silicon monofluoride | 1.597 | 1 | 2 |
SiF+ | silicon monofluoride cation | 1.530 | 1 | 2 |
SiF2+ | Silicon difluoride cation | 1.526 | 1 | 2 |
1.526 | 1 | 3 | ||
SiH2F2 | difluorosilane | 1.577 | 1 | 2 |
1.577 | 1 | 3 | ||
SiF3 | Silicon trifluoride radical | 1.571 | 1 | 2 |
1.571 | 1 | 3 | ||
1.571 | 1 | 4 | ||
SiF3+ | Silicon trifluoride cation | 1.511 | 1 | 2 |
1.511 | 1 | 3 | ||
1.511 | 1 | 4 | ||
SiHF3 | trifluorosilane | 1.564 | 1 | 3 |
1.564 | 1 | 4 | ||
1.564 | 1 | 5 | ||
SiF5- | silicon pentafluoride anion | 1.647 | 1 | 2 |
1.617 | 1 | 3 | ||
1.617 | 1 | 4 | ||
1.617 | 1 | 5 | ||
1.647 | 1 | 6 |