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I.B.3. (II.A.2.)

All data (experiment and calculated) in the CCCBDB for LiMg (Lithium magnesium)


An "x" indicates that data is available. A number indicates how many calculations have been completed.
Property Experiment Calculated Comparison
Enthalpy 298.15K enthalpy of formation      
Enthalpy 0K enthalpy of formation      
Energy 0K   340  
Energy 298.15K   4  
Atomization Enthalpy 298.15K  0 
Atomization Enthalpy 0K  0 
Entropy (298.15K) entropy  0 
Entropy at any temperature   0  
Integrated Heat Capacity integrated heat capacity  0 
Heat Capacity (Cp) Heat capacity  0 
Nuclear Repulsion Energy   339  
HOMO-LUMO Energies HOMO energies   339  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  338  
Internal Coordinates bond lengths bond angles  338 
Products of moments of inertia moments of inertia  329 
Rotational Constants rotational constants  335 
Point Group  340 
Vibrations Vibrational Frequencies vibrations  334 
Vibrational Intensities  293 
Zero-point energies  334 
Vibrational scaling factors  
Anharmonic frequencies and constants      
Electronic States Electronic states   0  
Electrostatics Atom charges   208  
Dipole dipole  276 
Quadrupole quadrupole  245 
Polarizability polarizability  192 
Other results Spin   339  
Number of basis functions   29  
Diagnostics   0  
Conformations   1