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

All data (experiment and calculated) in the CCCBDB for NaMg (Sodium Magnesium)

INChI
InChI=1S/Mg.Na

An "x" indicates that data is available. A number indicates how many calculations have been completed.
Property Experiment Calculated Comparison
Energies
Entropies
Enthalpy 298.15K enthalpy of formation      
Enthalpy 0K enthalpy of formation      
Energy 0K   338  
Energy 298.15K   2  
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  337  
Internal Coordinates bond lengths bond angles  0 
Products of moments of inertia moments of inertia  331 
Rotational Constants rotational constants  337 
Point Group  340 
Vibrations Vibrational Frequencies vibrations  336 
Vibrational Intensities  296 
Zero-point energies  336 
Vibrational scaling factors  
Anharmonic frequencies and constants      
Electronic States Electronic states   0  
Electrostatics Atom charges   206  
Dipole dipole  274 
Quadrupole quadrupole  243 
Polarizability polarizability  191 
Other results Spin   337  
Number of basis functions   29  
Diagnostics   0  
Conformations   1