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 |
B2PLYP=FULL/aug-cc-pV(T+d)Z
7 | |||||||||||||||||||||||||
6 | |||||||||||||||||||||||||
5 | |||||||||||||||||||||||||
4 | |||||||||||||||||||||||||
3 | |||||||||||||||||||||||||
2 | |||||||||||||||||||||||||
1 | |||||||||||||||||||||||||
0 | |||||||||||||||||||||||||
1.45 | 1.45 | 1.46 | 1.46 | 1.47 | 1.47 | 1.48 | 1.48 | ||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.472 | 0.007 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | SiHF3 | trifluorosilane | 1.450 |
Highest value | Si2H6 | disilane | 1.478 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
SiH3 | Silyl radical | 1.476 | 1 | 2 |
1.476 | 1 | 3 | ||
1.476 | 1 | 4 | ||
SiH4 | Silane | 1.475 | 1 | 2 |
1.475 | 1 | 3 | ||
1.475 | 1 | 4 | ||
1.475 | 1 | 5 | ||
SiH3F | monofluorosilane | 1.471 | 1 | 3 |
1.471 | 1 | 4 | ||
1.471 | 1 | 5 | ||
Si2H6 | disilane | 1.478 | 1 | 3 |
1.478 | 1 | 4 | ||
1.478 | 1 | 5 | ||
1.478 | 2 | 6 | ||
1.478 | 2 | 7 | ||
1.478 | 2 | 8 | ||
SiH2F2 | difluorosilane | 1.463 | 1 | 4 |
1.463 | 1 | 5 | ||
SiH2Cl2 | dichlorosilane | 1.464 | 1 | 2 |
1.464 | 1 | 3 | ||
SiHF3 | trifluorosilane | 1.450 | 1 | 2 |
SiH3CCl3 | (trichloromethyl)silane | 1.471 | 1 | 3 |
1.471 | 1 | 4 | ||
1.471 | 1 | 5 |