Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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Species | Name | Bond type | Bond Length (Å) | ||
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Experimental | Calculated | Difference | |||
GaP | Gallium monophosphide | rPGa | 2.450 | 2.193 | -0.257 |
Ar2+ | Argon diatomic cation | rArAr | 2.320 | 2.508 | 0.188 |
CaH | Calcium monohydride | rCaH | 2.003 | 2.109 | 0.106 |
CaCl | calcium monochloride | rClCa | 2.437 | 2.572 | 0.135 |
AlP | Aluminum monophosphide | rAlP | 2.400 | 2.186 | -0.214 |