Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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LSDA/6-31+G**
14 | |||||||||||||||||||||||||
12 | |||||||||||||||||||||||||
10 | |||||||||||||||||||||||||
8 | |||||||||||||||||||||||||
6 | |||||||||||||||||||||||||
4 | |||||||||||||||||||||||||
2 | |||||||||||||||||||||||||
0 | |||||||||||||||||||||||||
1.95 | 2.00 | 2.05 | 2.10 | 2.15 | 2.20 | 2.25 | 2.30 | ||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
2.038 | 0.060 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | SiCl3+ | trichlorosilyl cation | 1.957 |
Highest value | SiCl- | silicon monochloride anion | 2.237 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
SiCl- | silicon monochloride anion | 2.237 | 1 | 2 |
SiCl+ | silicon monochloride cation | 1.969 | 1 | 2 |
SiH3Cl | chlorosilane | 2.060 | 1 | 2 |
SiCl2 | Dichlorosilylene | 2.089 | 1 | 2 |
2.089 | 1 | 3 | ||
SiH2Cl2 | dichlorosilane | 2.047 | 1 | 4 |
2.047 | 1 | 5 | ||
SiCl3+ | trichlorosilyl cation | 1.957 | 1 | 2 |
1.957 | 1 | 3 | ||
1.957 | 1 | 4 | ||
SiHCl3 | Trichlorosilane | 2.036 | 1 | 3 |
2.036 | 1 | 4 | ||
2.036 | 1 | 5 | ||
SiCl4 | Silane, tetrachloro- | 2.028 | 1 | 2 |
2.028 | 1 | 3 | ||
2.028 | 1 | 4 | ||
2.028 | 1 | 5 | ||
SiCl3CH3 | methyltrichlorosilane | 2.045 | 1 | 3 |
2.045 | 1 | 4 | ||
2.045 | 1 | 5 |