Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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MP2=FULL/aug-cc-pVTZ
5 | ||||||||||||||||||||||||||||
4 | ||||||||||||||||||||||||||||
3 | ||||||||||||||||||||||||||||
2 | ||||||||||||||||||||||||||||
1 | ||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||
1.60 | 1.65 | 1.70 | 1.75 | 1.80 | 1.85 | 1.90 | 1.95 | 2.00 | ||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.802 | 0.087 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | SiC+ | silicon monocarbide cation | 1.630 |
Highest value | SiH3CCl3 | (trichloromethyl)silane | 1.904 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
SiC- | silicon monocarbide anion | 1.757 | 1 | 2 |
SiC | silicon monocarbide | 1.685 | 1 | 2 |
SiC+ | silicon monocarbide cation | 1.630 | 1 | 2 |
SiC2 | Silicon dicarbide | 1.835 | 1 | 2 |
1.835 | 1 | 3 | ||
SiH2(CH3)2 | dimethylsilane | 1.870 | 1 | 4 |
1.870 | 1 | 5 | ||
SiH3CCl3 | (trichloromethyl)silane | 1.904 | 1 | 2 |
SiCl3CH3 | methyltrichlorosilane | 1.836 | 1 | 2 |