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 | |||
PF3 | Phosphorus trifluoride | rFP | 1.561 | 1.671 | 0.110 |
GaP | Gallium monophosphide | rPGa | 2.450 | 2.223 | -0.227 |
AlP | Aluminum monophosphide | rAlP | 2.400 | 2.223 | -0.177 |
AlP | Aluminum monophosphide | rAlP | 2.220 | 2.089 | -0.131 |