Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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ROHF/cc-pVDZ
5 | ||||||||||||||||||||||||||||||||||||||||
4 | ||||||||||||||||||||||||||||||||||||||||
3 | ||||||||||||||||||||||||||||||||||||||||
2 | ||||||||||||||||||||||||||||||||||||||||
1 | ||||||||||||||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||||||||||||||
1.54 | 1.56 | 1.58 | 1.60 | 1.62 | 1.64 | 1.66 | 1.68 | 1.70 | 1.72 | 1.74 | 1.76 | 1.78 | ||||||||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.606 | 0.055 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | SiF3+ | Silicon trifluoride cation | 1.547 |
Highest value | SiF- | silicon monofluoride anion | 1.743 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
SiF- | silicon monofluoride anion | 1.743 | 1 | 2 |
SiF | silicon monofluoride | 1.649 | 1 | 2 |
SiF2 | Silicon difluoride | 1.634 | 1 | 2 |
1.634 | 1 | 3 | ||
SiF2+ | Silicon difluoride cation | 1.565 | 1 | 2 |
1.565 | 1 | 3 | ||
SiF3 | Silicon trifluoride radical | 1.612 | 1 | 2 |
1.612 | 1 | 3 | ||
1.612 | 1 | 4 | ||
SiF3+ | Silicon trifluoride cation | 1.547 | 1 | 2 |
1.547 | 1 | 3 | ||
1.547 | 1 | 4 |