Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
You are here: Calculated > Geometry > Calculated geometry > One type of bond |
MP2=FULL/cc-pV(T+d)Z
9 | ||||||||||||||||||||||||||||
8 | ||||||||||||||||||||||||||||
7 | ||||||||||||||||||||||||||||
6 | ||||||||||||||||||||||||||||
5 | ||||||||||||||||||||||||||||
4 | ||||||||||||||||||||||||||||
3 | ||||||||||||||||||||||||||||
2 | ||||||||||||||||||||||||||||
1 | ||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||
1.90 | 1.95 | 2.00 | 2.05 | 2.10 | 2.15 | 2.20 | 2.25 | 2.30 | ||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
2.025 | 0.062 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | SiCl3+ | trichlorosilyl cation | 1.941 |
Highest value | SiCl- | silicon monochloride anion | 2.242 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
SiCl- | silicon monochloride anion | 2.242 | 1 | 2 |
SiCl | Clorosilylidyne | 2.061 | 1 | 2 |
SiCl+ | silicon monochloride cation | 1.949 | 1 | 2 |
SiH3Cl | chlorosilane | 2.046 | 1 | 2 |
SiCl2 | Dichlorosilylene | 2.067 | 1 | 2 |
2.067 | 1 | 3 | ||
SiH2Cl2 | dichlorosilane | 2.032 | 1 | 4 |
2.032 | 1 | 5 | ||
SiCl3 | trichlorosilyl radical | 2.032 | 1 | 2 |
2.032 | 1 | 3 | ||
2.032 | 1 | 4 | ||
SiCl3+ | trichlorosilyl cation | 1.941 | 1 | 2 |
1.941 | 1 | 3 | ||
1.941 | 1 | 4 | ||
SiHCl3 | Trichlorosilane | 2.021 | 1 | 3 |
2.021 | 1 | 4 | ||
2.021 | 1 | 5 | ||
SiCl4 | Silane, tetrachloro- | 2.013 | 1 | 2 |
2.013 | 1 | 3 | ||
2.013 | 1 | 4 | ||
2.013 | 1 | 5 |