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=FULL/cc-pCVTZ
5 | ||||||||||||||||||||||||||||
4 | ||||||||||||||||||||||||||||
3 | ||||||||||||||||||||||||||||
2 | ||||||||||||||||||||||||||||
1 | ||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||
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 |
---|---|
1.603 | 0.039 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | SiF+ | silicon monofluoride cation | 1.530 |
Highest value | SiF5- | silicon pentafluoride anion | 1.659 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
SiF | silicon monofluoride | 1.605 | 1 | 2 |
SiF+ | silicon monofluoride cation | 1.530 | 1 | 2 |
SiF3 | Silicon trifluoride radical | 1.573 | 1 | 2 |
1.573 | 1 | 3 | ||
1.573 | 1 | 4 | ||
SiF5- | silicon pentafluoride anion | 1.659 | 1 | 2 |
1.620 | 1 | 3 | ||
1.620 | 1 | 4 | ||
1.620 | 1 | 5 | ||
1.659 | 1 | 6 |