Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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HF/cc-pV(T+d)Z
5 | ||||||||||||||||||||||||||||
4 | ||||||||||||||||||||||||||||
3 | ||||||||||||||||||||||||||||
2 | ||||||||||||||||||||||||||||
1 | ||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||
1.94 | 1.96 | 1.98 | 2.00 | 2.02 | 2.04 | 2.06 | 2.08 | 2.10 | ||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
2.017 | 0.046 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | SiCl3+ | trichlorosilyl cation | 1.942 |
Highest value | SiCl2 | Dichlorosilylene | 2.077 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
SiCl+ | silicon monochloride cation | 1.946 | 1 | 2 |
SiH3Cl | chlorosilane | 2.061 | 1 | 2 |
SiCl2 | Dichlorosilylene | 2.077 | 1 | 2 |
2.077 | 1 | 3 | ||
SiH2Cl2 | dichlorosilane | 2.045 | 1 | 4 |
2.045 | 1 | 5 | ||
SiCl3+ | trichlorosilyl cation | 1.942 | 1 | 2 |
1.942 | 1 | 3 | ||
1.942 | 1 | 4 | ||
SiHCl3 | Trichlorosilane | 2.032 | 1 | 3 |
2.032 | 1 | 4 | ||
2.032 | 1 | 5 | ||
SiCl4 | Silane, tetrachloro- | 2.023 | 1 | 2 |
2.023 | 1 | 3 | ||
2.023 | 1 | 4 | ||
2.023 | 1 | 5 |