Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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B3LYP/SDD
6 | ||||||||||||||||||||||||||||||||||||||||
5 | ||||||||||||||||||||||||||||||||||||||||
4 | ||||||||||||||||||||||||||||||||||||||||
3 | ||||||||||||||||||||||||||||||||||||||||
2 | ||||||||||||||||||||||||||||||||||||||||
1 | ||||||||||||||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||||||||||||||
1.70 | 1.72 | 1.74 | 1.76 | 1.78 | 1.80 | 1.82 | 1.84 | 1.86 | 1.88 | 1.90 | 1.92 | 1.94 | ||||||||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.873 | 0.073 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | SiC- | silicon monocarbide anion | 1.711 |
Highest value | SiH3CCl3 | (trichloromethyl)silane | 1.937 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
SiC- | silicon monocarbide anion | 1.711 | 1 | 2 |
SiC | silicon monocarbide | 1.768 | 1 | 2 |
CH2SiH2 | silaethylene | 1.729 | 1 | 2 |
CH3SiH3 | methyl silane | 1.906 | 1 | 2 |
SiC2 | Silicon dicarbide | 1.917 | 1 | 2 |
1.917 | 1 | 3 | ||
SiH2(CH3)2 | dimethylsilane | 1.907 | 1 | 4 |
1.907 | 1 | 5 | ||
SiH3CCl3 | (trichloromethyl)silane | 1.937 | 1 | 2 |
SiCl3CH3 | methyltrichlorosilane | 1.870 | 1 | 2 |
Si(CH3)4 | tetramethylsilane | 1.912 | 1 | 2 |
1.912 | 1 | 3 | ||
1.912 | 1 | 4 | ||
1.912 | 1 | 5 |