Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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PBEPBEultrafine/daug-cc-pVDZ
5 | ||||||||||||||||||||||||||||
4 | ||||||||||||||||||||||||||||
3 | ||||||||||||||||||||||||||||
2 | ||||||||||||||||||||||||||||
1 | ||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||
2.10 | 2.12 | 2.14 | 2.16 | 2.18 | 2.20 | 2.22 | 2.24 | 2.26 | ||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
2.196 | 0.053 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | GeCl+ | Germanium monochloride cation | 2.104 |
Highest value | GeCl2 | Germanium dichloride | 2.229 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
GeCl | Germanium monochloride | 2.220 | 1 | 2 |
GeCl+ | Germanium monochloride cation | 2.104 | 1 | 2 |
GeCl2 | Germanium dichloride | 2.229 | 1 | 2 |
2.229 | 1 | 3 |