Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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LSDA/6-31G*
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1.48 | 1.49 | 1.50 | 1.51 | 1.52 | 1.53 | 1.54 | 1.55 | 1.56 | 1.57 | 1.58 | 1.59 | 1.60 | ||||||||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.509 | 0.026 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | SiHCl3 | Trichlorosilane | 1.483 |
Highest value | SiH- | silicon monohydride anion | 1.584 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
SiH- | silicon monohydride anion | 1.584 | 1 | 2 |
SiH | Silylidyne | 1.553 | 1 | 2 |
SiH+ | silicon monohydride cation | 1.541 | 1 | 2 |
SiH2- | silicon dihydride anion | 1.570 | 1 | 2 |
1.570 | 1 | 3 | ||
SiH2 | silicon dihydride | 1.544 | 1 | 2 |
1.544 | 1 | 3 | ||
SiH2+ | silicon dihydride cation | 1.511 | 1 | 2 |
1.511 | 1 | 3 | ||
SiH3- | Silyl anion | 1.558 | 1 | 2 |
1.558 | 1 | 3 | ||
1.558 | 1 | 4 | ||
SiH3 | Silyl radical | 1.499 | 1 | 2 |
1.499 | 1 | 3 | ||
1.499 | 1 | 4 | ||
SiH3+ | Silyl cation | 1.488 | 1 | 2 |
1.488 | 1 | 3 | ||
1.488 | 1 | 4 | ||
SiH4 | Silane | 1.496 | 1 | 2 |
1.496 | 1 | 3 | ||
1.496 | 1 | 4 | ||
1.496 | 1 | 5 | ||
SiH3F | monofluorosilane | 1.497 | 1 | 3 |
1.497 | 1 | 4 | ||
1.497 | 1 | 5 | ||
SiH3Cl | chlorosilane | 1.494 | 1 | 3 |
1.494 | 1 | 4 | ||
1.494 | 1 | 5 | ||
SiH3Br | bromosilane | 1.494 | 1 | 3 |
1.494 | 1 | 4 | ||
1.494 | 1 | 5 | ||
CH2SiH2 | silaethylene | 1.491 | 2 | 5 |
1.491 | 2 | 6 | ||
CH3SiH3 | methyl silane | 1.500 | 2 | 6 |
1.500 | 2 | 7 | ||
1.500 | 2 | 8 | ||
Si2H6 | disilane | 1.499 | 1 | 3 |
1.499 | 1 | 4 | ||
1.499 | 1 | 5 | ||
1.499 | 2 | 6 | ||
1.499 | 2 | 7 | ||
1.499 | 2 | 8 | ||
SiH2Cl2 | dichlorosilane | 1.489 | 1 | 2 |
1.489 | 1 | 3 | ||
SiH2(CH3)2 | dimethylsilane | 1.504 | 1 | 2 |
1.504 | 1 | 3 | ||
SiHCl3 | Trichlorosilane | 1.483 | 1 | 2 |
SiH3CCl3 | (trichloromethyl)silane | 1.493 | 1 | 3 |
1.493 | 1 | 4 | ||
1.493 | 1 | 5 |