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

All data (experiment and calculated) in the CCCBDB for NaK (Sodium Potassium)

INChI
InChI=1S/K.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   208  
Energy 298.15K   6  
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   206  
HOMO-LUMO Energies HOMO energies   206  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians x206  
Internal Coordinates bond lengths bond angles x206x
Products of moments of inertia moments of inertia x202x
Rotational Constants rotational constants x206x
Point Group  207 
Vibrations Vibrational Frequencies vibrations x206x
Vibrational Intensities  200 
Zero-point energies x206x
Vibrational scaling factors x
Anharmonic frequencies and constants      
Electronic States Electronic states x 0  
Electrostatics Atom charges   135  
Dipole dipole x135x
Quadrupole quadrupole  135 
Polarizability polarizability  135 
Other results Spin   0  
Number of basis functions   19  
Diagnostics   0  
Conformations   1