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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;
INChI
InChI=1/2Li.O

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 x    
Enthalpy 0K enthalpy of formation      
Energy 0K   246  
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   220  
HOMO-LUMO Energies HOMO energies   217  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians x207  
Internal Coordinates bond lengths bond angles x207x
Products of moments of inertia moments of inertia  218 
Rotational Constants rotational constants x221x
Point Group  221 
Vibrations Vibrational Frequencies vibrations x222x
Vibrational Intensities  206 
Zero-point energies  222 
Vibrational scaling factors  
Anharmonic frequencies and constants      
Electronic States Electronic states x 0  
Electrostatics Atom charges   129  
Dipole dipole  129 
Quadrupole quadrupole  129 
Polarizability polarizability  130 
Other results Spin   0  
Number of basis functions   31  
Diagnostics   5  
Conformations   1