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 | |||
CuO | Copper Monoxide | rCuO | 1.724 | 1.870 | 0.145 |
F2+ | flourine diatomic cation | rFF | 1.322 | 1.207 | -0.115 |
SiP | Silicon monophosphide | rSiP | 2.078 | 1.958 | -0.120 |
CaC | Calcium monocarbide | rCCa | 2.302 | 2.833 | 0.531 |