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 | |||
CaO | Calcium monoxide | rOCa | 1.822 | 1.672 | -0.150 |
GaP | Gallium monophosphide | rPGa | 2.450 | 2.219 | -0.231 |
Ar2 | Argon diatomic | rArAr | 3.758 | 3.997 | 0.239 |
Ar2+ | Argon diatomic cation | rArAr | 2.320 | 2.422 | 0.102 |
AlP | Aluminum monophosphide | rAlP | 2.400 | 2.226 | -0.174 |
AlP | Aluminum monophosphide | rAlP | 2.220 | 2.107 | -0.113 |