Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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mPW1PW91/aug-cc-pVTZ
5 | ||||||||||||||||||||||||||||||||||
4 | ||||||||||||||||||||||||||||||||||
3 | ||||||||||||||||||||||||||||||||||
2 | ||||||||||||||||||||||||||||||||||
1 | ||||||||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||||||||
2.04 | 2.05 | 2.05 | 2.06 | 2.06 | 2.07 | 2.07 | 2.08 | 2.08 | 2.09 | 2.09 | ||||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
2.060 | 0.014 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | SiCl3CH3 | methyltrichlorosilane | 2.050 |
Highest value | HSiCl | Chlorosilylene | 2.088 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
SiCl | Clorosilylidyne | 2.078 | 1 | 2 |
HSiCl | Chlorosilylene | 2.088 | 1 | 2 |
SiH3Cl | chlorosilane | 2.065 | 1 | 2 |
SiH2Cl2 | dichlorosilane | 2.051 | 1 | 4 |
2.051 | 1 | 5 | ||
SiCl3CH3 | methyltrichlorosilane | 2.050 | 1 | 3 |
2.050 | 1 | 4 | ||
2.050 | 1 | 5 |