Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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HSEh1PBE/3-21G
12 | |||||||||||||||||||||||||
10 | |||||||||||||||||||||||||
8 | |||||||||||||||||||||||||
6 | |||||||||||||||||||||||||
4 | |||||||||||||||||||||||||
2 | |||||||||||||||||||||||||
0 | |||||||||||||||||||||||||
1.65 | 1.70 | 1.75 | 1.80 | 1.85 | 1.90 | 1.95 | 2.00 | ||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.871 | 0.079 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | SiC | silicon monocarbide | 1.686 |
Highest value | SiH3CCl3 | (trichloromethyl)silane | 1.928 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
SiC- | silicon monocarbide anion | 1.716 | 1 | 2 |
SiC | silicon monocarbide | 1.686 | 1 | 2 |
SiC+ | silicon monocarbide cation | 1.775 | 1 | 2 |
CH2SiH2 | silaethylene | 1.733 | 1 | 2 |
CH3SiH3 | methyl silane | 1.912 | 1 | 2 |
SiC2 | Silicon dicarbide | 1.916 | 1 | 2 |
1.916 | 1 | 3 | ||
SiH2(CH3)2 | dimethylsilane | 1.913 | 1 | 4 |
1.913 | 1 | 5 | ||
SiH(CH3)3 | trimethylsilane | 1.913 | 1 | 3 |
1.913 | 1 | 4 | ||
1.913 | 1 | 5 | ||
SiH3CCl3 | (trichloromethyl)silane | 1.928 | 1 | 2 |
SiCl3CH3 | methyltrichlorosilane | 1.870 | 1 | 2 |
Si(CH3)4 | tetramethylsilane | 1.914 | 1 | 2 |
1.914 | 1 | 3 | ||
1.914 | 1 | 4 | ||
1.914 | 1 | 5 |