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/cc-pCVTZ
5 | |||||||||||||||||||||||||||||||
4 | |||||||||||||||||||||||||||||||
3 | |||||||||||||||||||||||||||||||
2 | |||||||||||||||||||||||||||||||
1 | |||||||||||||||||||||||||||||||
0 | |||||||||||||||||||||||||||||||
2.05 | 2.05 | 2.05 | 2.05 | 2.06 | 2.06 | 2.06 | 2.06 | 2.06 | 2.07 | ||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
2.054 | 0.007 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | SiH2Cl2 | dichlorosilane | 2.049 |
Highest value | SiH3Cl | chlorosilane | 2.063 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
SiH3Cl | chlorosilane | 2.063 | 1 | 2 |
SiH2Cl2 | dichlorosilane | 2.049 | 1 | 4 |
2.049 | 1 | 5 |