Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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QCISD/6-31G(2df,p)
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1.66 | 1.68 | 1.70 | 1.72 | 1.74 | 1.76 | 1.78 | 1.80 | 1.82 | 1.84 | 1.86 | 1.88 | 1.90 | ||||||||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.845 | 0.069 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | SiC- | silicon monocarbide anion | 1.680 |
Highest value | SiH3CCl3 | (trichloromethyl)silane | 1.917 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
SiC- | silicon monocarbide anion | 1.680 | 1 | 2 |
SiC | silicon monocarbide | 1.720 | 1 | 2 |
SiC2 | Silicon dicarbide | 1.837 | 1 | 2 |
1.837 | 1 | 3 | ||
SiH2(CH3)2 | dimethylsilane | 1.881 | 1 | 4 |
1.881 | 1 | 5 | ||
SiH3CCl3 | (trichloromethyl)silane | 1.917 | 1 | 2 |
SiCl3CH3 | methyltrichlorosilane | 1.848 | 1 | 2 |
Si(CH3)4 | tetramethylsilane | 1.884 | 1 | 2 |
1.884 | 1 | 3 | ||
1.884 | 1 | 4 | ||
1.884 | 1 | 5 |