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Equilibrium bond length (Ang.) | Atomization energy (kcal/mol) | Atomization energy (couterpoise corrected) (kcal/mol) | |
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Li10.0-s3p2 | 2.741 | 20.1 | 19.8 |
Li10.0-s3p3d2 | 2.731 | 20.4 | 20.1 |
Other calc. | 2.730a | 19.9b | |
Expt. | 2.673c | 24.4d | |
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