Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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BLYP/aug-cc-pV(T+d)Z
14 | |||||||||||||||||||||||||||||||
12 | |||||||||||||||||||||||||||||||
10 | |||||||||||||||||||||||||||||||
8 | |||||||||||||||||||||||||||||||
6 | |||||||||||||||||||||||||||||||
4 | |||||||||||||||||||||||||||||||
2 | |||||||||||||||||||||||||||||||
0 | |||||||||||||||||||||||||||||||
1.46 | 1.47 | 1.48 | 1.49 | 1.50 | 1.51 | 1.52 | 1.53 | 1.54 | 1.55 | ||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.488 | 0.014 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | SiHF3 | trifluorosilane | 1.464 |
Highest value | SiH2 | silicon dihydride | 1.533 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
SiH2 | silicon dihydride | 1.533 | 1 | 2 |
1.533 | 1 | 3 | ||
SiH3 | Silyl radical | 1.490 | 1 | 2 |
1.490 | 1 | 3 | ||
1.490 | 1 | 4 | ||
SiH4 | Silane | 1.487 | 1 | 2 |
1.487 | 1 | 3 | ||
1.487 | 1 | 4 | ||
1.487 | 1 | 5 | ||
SiH3F | monofluorosilane | 1.484 | 1 | 3 |
1.484 | 1 | 4 | ||
1.484 | 1 | 5 | ||
Si2H6 | disilane | 1.490 | 1 | 3 |
1.490 | 1 | 4 | ||
1.490 | 1 | 5 | ||
1.490 | 2 | 6 | ||
1.490 | 2 | 7 | ||
1.490 | 2 | 8 | ||
SiH2F2 | difluorosilane | 1.477 | 1 | 4 |
1.477 | 1 | 5 | ||
SiH2Cl2 | dichlorosilane | 1.478 | 1 | 2 |
1.478 | 1 | 3 | ||
SiHF3 | trifluorosilane | 1.464 | 1 | 2 |
SiH3CCl3 | (trichloromethyl)silane | 1.482 | 1 | 3 |
1.482 | 1 | 4 | ||
1.482 | 1 | 5 |