![]() |
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 > Bad Calculations > Bad Calculated Bond Lengths OR Resources > Bad Calculations > Geometry > Bad Calculated Bond Lengths |
Species | Name | Bond type | Bond Length (Å) | ||
---|---|---|---|---|---|
Experimental | Calculated | Difference | |||
GaP | Gallium monophosphide | rPGa | 2.450 | 2.222 | -0.228 |
Ar2+ | Argon diatomic cation | rArAr | 2.320 | 2.421 | 0.101 |
Be2 | Beryllium diatomic | rBeBe | 2.460 | 2.567 | 0.107 |
AlP | Aluminum monophosphide | rAlP | 2.400 | 2.225 | -0.175 |
AlP | Aluminum monophosphide | rAlP | 2.220 | 2.088 | -0.132 |