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Equilibrium bond length (Ang.) | Atomization energy (eV) | Atomization energy (couterpoise corrected) (eV) | |
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Sc9.0-s4p3d2 | 2.647 | 1.890 | 1.854 |
Sc9.0-s4p3d3f1 | 2.644 | 1.912 | 1.871 |
Other calc. | 2.58 a | 2.34 a | - |
Expt. | 1.665 b | - | |
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