Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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QCISD(T)=FULL/aug-cc-pV(T+d)Z
10 | ||||||||||||||||||||||||||||||||||
8 | ||||||||||||||||||||||||||||||||||
6 | ||||||||||||||||||||||||||||||||||
4 | ||||||||||||||||||||||||||||||||||
2 | ||||||||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||||||||
1.46 | 1.46 | 1.47 | 1.47 | 1.47 | 1.47 | 1.47 | 1.48 | 1.48 | 1.48 | 1.48 | ||||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.474 | 0.006 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | SiH2F2 | difluorosilane | 1.462 |
Highest value | Si2H6 | disilane | 1.479 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
SiH3 | Silyl radical | 1.477 | 1 | 2 |
1.477 | 1 | 3 | ||
1.477 | 1 | 4 | ||
SiH4 | Silane | 1.477 | 1 | 2 |
1.477 | 1 | 3 | ||
1.477 | 1 | 4 | ||
1.477 | 1 | 5 | ||
SiH3F | monofluorosilane | 1.471 | 1 | 3 |
1.471 | 1 | 4 | ||
1.471 | 1 | 5 | ||
Si2H6 | disilane | 1.479 | 1 | 3 |
1.479 | 1 | 4 | ||
1.479 | 1 | 5 | ||
1.479 | 2 | 6 | ||
1.479 | 2 | 7 | ||
1.479 | 2 | 8 | ||
SiH2F2 | difluorosilane | 1.462 | 1 | 4 |
1.462 | 1 | 5 | ||
SiH2Cl2 | dichlorosilane | 1.464 | 1 | 2 |
1.464 | 1 | 3 |