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 |
HF/3-21G
5 | ||||||||||||||||||||||||||||
4 | ||||||||||||||||||||||||||||
3 | ||||||||||||||||||||||||||||
2 | ||||||||||||||||||||||||||||
1 | ||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||
2.14 | 2.15 | 2.16 | 2.17 | 2.18 | 2.19 | 2.20 | 2.21 | 2.22 | ||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
2.171 | 0.026 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | AlS | Aluminum sulfide | 2.146 |
Highest value | AlS+ | aluminum monosulfide cation | 2.207 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
AlS- | aluminum monosulfide anion | 2.161 | 1 | 2 |
AlS | Aluminum sulfide | 2.146 | 1 | 2 |
AlS+ | aluminum monosulfide cation | 2.207 | 1 | 2 |