Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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PM3
5 | |||||||||||||||||||||||||
4 | |||||||||||||||||||||||||
3 | |||||||||||||||||||||||||
2 | |||||||||||||||||||||||||
1 | |||||||||||||||||||||||||
0 | |||||||||||||||||||||||||
1.85 | 1.90 | 1.95 | 2.00 | 2.05 | 2.10 | 2.15 | 2.20 | ||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
2.020 | 0.088 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | SiCl+ | silicon monochloride cation | 1.852 |
Highest value | SiCl- | silicon monochloride anion | 2.110 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
SiCl- | silicon monochloride anion | 2.110 | 1 | 2 |
SiCl | Clorosilylidyne | 1.946 | 1 | 2 |
SiCl+ | silicon monochloride cation | 1.852 | 1 | 2 |
HSiCl | Chlorosilylene | 1.987 | 1 | 2 |
SiH3Cl | chlorosilane | 2.091 | 1 | 2 |
SiH2Cl2 | dichlorosilane | 2.076 | 1 | 4 |
2.076 | 1 | 5 |