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

All data (experiment and calculated) in the CCCBDB for Li2O (dilithium oxide)

Other names
lithium oxide;

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 x    
Enthalpy 0K enthalpy of formation      
Energy 0K   255  
Energy 298.15K   233  
Atomization Enthalpy 298.15K x212x
Atomization Enthalpy 0K  219 
Entropy (298.15K) entropy x195x
Entropy at any temperature   195  
Integrated Heat Capacity integrated heat capacity  195 
Heat Capacity (Cp) Heat capacity  195 
Nuclear Repulsion Energy   229  
HOMO-LUMO Energies HOMO energies   227  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians x216  
Internal Coordinates bond lengths bond angles x216x
Products of moments of inertia moments of inertia  226 
Rotational Constants rotational constants x229x
Point Group  230 
Vibrations Vibrational Frequencies vibrations x230x
Vibrational Intensities  214 
Zero-point energies  230 
Vibrational scaling factors  
Anharmonic frequencies and constants      
Electronic States Electronic states x 0  
Electrostatics Atom charges   135  
Dipole dipole  134 
Quadrupole quadrupole  132 
Polarizability polarizability  136 
Other results Spin   0  
Number of basis functions   31  
Diagnostics   5  
Conformations   1