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 |
B3LYP/CEP-121G
5 | ||||||||||||||||||||||||||||
4 | ||||||||||||||||||||||||||||
3 | ||||||||||||||||||||||||||||
2 | ||||||||||||||||||||||||||||
1 | ||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||
2.04 | 2.06 | 2.08 | 2.10 | 2.12 | 2.14 | 2.16 | 2.18 | 2.20 | ||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
2.074 | 0.050 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | SiS2 | Silicon disulfide | 2.045 |
Highest value | SiS- | silicon monosulfide anion | 2.174 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
SiS- | silicon monosulfide anion | 2.174 | 1 | 2 |
SiS | silicon monosulfide | 2.053 | 1 | 2 |
SiS+ | silicon monosulfide cation | 2.054 | 1 | 2 |
SiS2 | Silicon disulfide | 2.045 | 1 | 2 |
2.045 | 1 | 3 |