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/3-21G
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1.46 | 1.47 | 1.48 | 1.49 | 1.50 | 1.51 | 1.52 | 1.53 | 1.54 | 1.55 | 1.56 | 1.57 | ||||||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.496 | 0.018 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | SiHF3 | trifluorosilane | 1.461 |
Highest value | HSiF | fluorosilylene | 1.559 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
SiH | Silylidyne | 1.558 | 1 | 2 |
SiH+ | silicon monohydride cation | 1.536 | 1 | 2 |
SiH3 | Silyl radical | 1.495 | 1 | 2 |
1.495 | 1 | 3 | ||
1.495 | 1 | 4 | ||
SiH3+ | Silyl cation | 1.477 | 1 | 2 |
1.477 | 1 | 3 | ||
1.477 | 1 | 4 | ||
SiH4 | Silane | 1.494 | 1 | 2 |
1.494 | 1 | 3 | ||
1.494 | 1 | 4 | ||
1.494 | 1 | 5 | ||
SiH2D2 | silane-d2 | 1.494 | 1 | 2 |
1.494 | 1 | 3 | ||
HSiF | fluorosilylene | 1.559 | 1 | 3 |
HSiCl | Chlorosilylene | 1.547 | 1 | 3 |
HSiBr | monobromosilylene | 1.548 | 1 | 3 |
Si2H2 | disilyne | 1.501 | 1 | 3 |
1.501 | 2 | 4 | ||
SiH3F | monofluorosilane | 1.490 | 1 | 3 |
1.490 | 1 | 4 | ||
1.490 | 1 | 5 | ||
SiH3Cl | chlorosilane | 1.486 | 1 | 3 |
1.486 | 1 | 4 | ||
1.486 | 1 | 5 | ||
SiH3Br | bromosilane | 1.488 | 1 | 3 |
1.488 | 1 | 4 | ||
1.488 | 1 | 5 | ||
SiH3I | Silyl Iodide | 1.487 | 1 | 3 |
1.487 | 1 | 4 | ||
1.487 | 1 | 5 | ||
Si2H4 | Disilene | 1.491 | 1 | 3 |
1.491 | 1 | 4 | ||
1.491 | 2 | 5 | ||
1.491 | 2 | 6 | ||
SiH3OH | silanol | 1.486 | 1 | 3 |
1.500 | 1 | 4 | ||
1.500 | 1 | 5 | ||
SiH3NH2 | Silane, amino | 1.503 | 1 | 3 |
1.498 | 1 | 4 | ||
1.498 | 1 | 5 | ||
Si2H6 | disilane | 1.496 | 1 | 3 |
1.496 | 1 | 4 | ||
1.496 | 1 | 5 | ||
1.496 | 2 | 6 | ||
1.496 | 2 | 7 | ||
1.496 | 2 | 8 | ||
SiH2F2 | difluorosilane | 1.479 | 1 | 4 |
1.479 | 1 | 5 | ||
SiH2Cl2 | dichlorosilane | 1.479 | 1 | 2 |
1.479 | 1 | 3 | ||
SiHF3 | trifluorosilane | 1.461 | 1 | 2 |
N(SiH3)3 | trisilylamine | 1.497 | 2 | 5 |
1.498 | 2 | 8 | ||
1.498 | 2 | 9 | ||
1.497 | 3 | 6 | ||
1.498 | 3 | 10 | ||
1.498 | 3 | 11 | ||
1.497 | 4 | 7 | ||
1.498 | 4 | 12 | ||
1.498 | 4 | 13 | ||
SiH3CCl3 | (trichloromethyl)silane | 1.487 | 1 | 3 |
1.487 | 1 | 4 | ||
1.487 | 1 | 5 |