Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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B2PLYP=FULLultrafine/aug-cc-pVTZ
5 | ||||||||||||||||||||||||||||
4 | ||||||||||||||||||||||||||||
3 | ||||||||||||||||||||||||||||
2 | ||||||||||||||||||||||||||||
1 | ||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||
2.06 | 2.07 | 2.07 | 2.08 | 2.08 | 2.09 | 2.09 | 2.10 | 2.10 | ||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
2.084 | 0.010 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | SiH3Cl | chlorosilane | 2.070 |
Highest value | HSiCl | Chlorosilylene | 2.095 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
SiCl | Clorosilylidyne | 2.085 | 1 | 2 |
HSiCl | Chlorosilylene | 2.095 | 1 | 2 |
SiH3Cl | chlorosilane | 2.070 | 1 | 2 |