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

All data (experiment and calculated) in the CCCBDB for Na2O (disodium monoxide)

Other names
Sodium oxide; Disodium 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      
Enthalpy 0K enthalpy of formation      
Energy 0K   389  
Energy 298.15K   5  
Atomization Enthalpy 298.15K  3 
Atomization Enthalpy 0K  328 
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   388  
HOMO-LUMO Energies HOMO energies   356  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  358  
Internal Coordinates bond lengths bond angles  358 
Products of moments of inertia moments of inertia  347 
Rotational Constants rotational constants  353 
Point Group  389 
Vibrations Vibrational Frequencies vibrations  352 
Vibrational Intensities  350 
Zero-point energies  352 
Vibrational scaling factors  
Anharmonic frequencies and constants      
Electronic States Electronic states   0  
Electrostatics Atom charges   244  
Dipole dipole  243 
Quadrupole quadrupole  238 
Polarizability polarizability  239 
Other results Spin   0  
Number of basis functions   5  
Diagnostics   0  
Conformations   2 x