Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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wB97X-D/aug-cc-pVQZ
5 | ||||||||||||||||||||||||||||
4 | ||||||||||||||||||||||||||||
3 | ||||||||||||||||||||||||||||
2 | ||||||||||||||||||||||||||||
1 | ||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||
2.04 | 2.05 | 2.05 | 2.06 | 2.06 | 2.07 | 2.07 | 2.08 | 2.08 | ||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
2.060 | 0.013 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | SiH2Cl2 | dichlorosilane | 2.046 |
Highest value | HSiCl | Chlorosilylene | 2.080 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
SiCl | Clorosilylidyne | 2.067 | 1 | 2 |
HSiCl | Chlorosilylene | 2.080 | 1 | 2 |
SiH3Cl | chlorosilane | 2.060 | 1 | 2 |
SiH2Cl2 | dichlorosilane | 2.046 | 1 | 4 |
2.046 | 1 | 5 |