Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
You are here: Calculated > Geometry > Calculated geometry > One type of bond |
TPSSh/3-21G
5 | ||||||||||||||||||||||||||||||||||
4 | ||||||||||||||||||||||||||||||||||
3 | ||||||||||||||||||||||||||||||||||
2 | ||||||||||||||||||||||||||||||||||
1 | ||||||||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||||||||
1.76 | 1.78 | 1.80 | 1.82 | 1.84 | 1.86 | 1.88 | 1.90 | 1.92 | 1.94 | 1.96 | ||||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.891 | 0.065 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | SiC | silicon monocarbide | 1.779 |
Highest value | SiH3CCl3 | (trichloromethyl)silane | 1.936 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
SiC | silicon monocarbide | 1.779 | 1 | 2 |
SiC2 | Silicon dicarbide | 1.924 | 1 | 2 |
1.924 | 1 | 3 | ||
SiH3CCl3 | (trichloromethyl)silane | 1.936 | 1 | 2 |