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 | |||
GaCl3 | Gallium trichloride | rClGa | 2.180 | 2.091 | -0.090 |
GaO | Gallium monoxide | rOGa | 1.743 | 1.676 | -0.067 |
CaBr2 | Calcium dibromide | rCaBr | 2.616 | 2.563 | -0.053 |