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

All data (experiment and calculated) in the CCCBDB for LiC (Lithium Carbide)


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   365  
Energy 298.15K   10  
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   366  
HOMO-LUMO Energies HOMO energies   315  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  366  
Internal Coordinates bond lengths bond angles  366 
Products of moments of inertia moments of inertia  358 
Rotational Constants rotational constants  366 
Point Group  367 
Vibrations Vibrational Frequencies vibrations  366 
Vibrational Intensities  315 
Zero-point energies  366 
Vibrational scaling factors  
Anharmonic frequencies and constants      
Electronic States Electronic states   0  
Electrostatics Atom charges   211  
Dipole dipole  279 
Quadrupole quadrupole  251 
Polarizability polarizability  196 
Other results Spin   366  
Number of basis functions   31  
Diagnostics   0  
Conformations   1