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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   204  
Energy 298.15K   8  
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   203  
HOMO-LUMO Energies HOMO energies   203  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians x203  
Internal Coordinates bond lengths bond angles x0x
Products of moments of inertia moments of inertia x197x
Rotational Constants rotational constants x203x
Point Group  204 
Vibrations Vibrational Frequencies vibrations x202x
Vibrational Intensities  202 
Zero-point energies x202x
Vibrational scaling factors x
Anharmonic frequencies and constants      
Electronic States Electronic states   0  
Electrostatics Atom charges   128  
Dipole dipole x130x
Quadrupole quadrupole  128 
Polarizability polarizability  128 
Other results Spin   0  
Number of basis functions   21  
Diagnostics   0  
Conformations   1