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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 | |
B3PW91/3-21G
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| 2.07 | 2.07 | 2.08 | 2.08 | 2.08 | 2.08 | 2.08 | 2.09 | 2.09 | 2.09 | 2.09 | 2.09 | 2.10 | ||||||||||||||||||||||||||||
| bond lengths (Å) | ||||||||||||||||||||||||||||||||||||||||
| Average bond length | Standard deviation |
|---|---|
| 2.079 | 0.010 |
| Species | Name | Bond Length (Å) | |
|---|---|---|---|
| Lowest value | GeS2 | Germanium disulfide | 2.072 |
| Highest value | GeS | Germanium monosulfide | 2.093 |
| Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
|---|---|---|---|---|
| GeS | Germanium monosulfide | 2.093 | 1 | 2 |
| GeS2 | Germanium disulfide | 2.072 | 1 | 2 |
| 2.072 | 1 | 3 |