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(T)/6-31G(2df,p)
5 | ||||||||||||||||||||||||||||||||||
4 | ||||||||||||||||||||||||||||||||||
3 | ||||||||||||||||||||||||||||||||||
2 | ||||||||||||||||||||||||||||||||||
1 | ||||||||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||||||||
1.57 | 1.58 | 1.59 | 1.60 | 1.61 | 1.62 | 1.63 | 1.64 | 1.65 | 1.66 | 1.67 | ||||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.608 | 0.028 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | SiHF3 | trifluorosilane | 1.575 |
Highest value | SiF5- | silicon pentafluoride anion | 1.658 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
HSiF | fluorosilylene | 1.612 | 1 | 2 |
SiH3F | monofluorosilane | 1.602 | 1 | 2 |
SiF2 | Silicon difluoride | 1.601 | 1 | 2 |
1.601 | 1 | 3 | ||
SiH2F2 | difluorosilane | 1.588 | 1 | 2 |
1.588 | 1 | 3 | ||
SiHF3 | trifluorosilane | 1.575 | 1 | 3 |
1.575 | 1 | 4 | ||
1.575 | 1 | 5 | ||
SiF5- | silicon pentafluoride anion | 1.658 | 1 | 2 |
1.628 | 1 | 3 | ||
1.628 | 1 | 4 | ||
1.628 | 1 | 5 | ||
1.658 | 1 | 6 |