Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
|
|
You are here: Calculated > Geometry > Bad Calculations > Bad Calculated Bond Lengths OR Resources > Bad Calculations > Geometry > Bad Calculated Bond Lengths |
Species | Name | Bond type | Bond Length (Å) | ||
---|---|---|---|---|---|
Experimental | Calculated | Difference | |||
GaAs | Gallium arsenide | rGaAs | 2.530 | 2.593 | 0.063 |
XeF4 | Xenon tetrafluoride | rFXe | 1.935 | 1.989 | 0.055 |
GaCl3 | Gallium trichloride | rClGa | 2.180 | 2.128 | -0.052 |
XeF2 | Xenon difluoride | rFXe | 1.974 | 2.025 | 0.050 |