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

All data (experiment and calculated) in the CCCBDB for LiK (Lithium Potassium)

INChI
InChI=1S/K.Li

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   209  
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   207  
HOMO-LUMO Energies HOMO energies   207  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians x207  
Internal Coordinates bond lengths bond angles x0x
Products of moments of inertia moments of inertia x203x
Rotational Constants rotational constants x207x
Point Group  208 
Vibrations Vibrational Frequencies vibrations x207x
Vibrational Intensities  207 
Zero-point energies x207x
Vibrational scaling factors x
Anharmonic frequencies and constants      
Electronic States Electronic states   0  
Electrostatics Atom charges   137  
Dipole dipole x137x
Quadrupole quadrupole  137 
Polarizability polarizability  137 
Other results Spin   0  
Number of basis functions   19  
Diagnostics   0  
Conformations   1