return to home page

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

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

Other names
Sodium oxide; Disodium oxide;
INChI
InChI=1S/2Na.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      
Enthalpy 0K enthalpy of formation      
Energy 0K   372  
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   372  
HOMO-LUMO Energies HOMO energies   340  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  341  
Internal Coordinates bond lengths bond angles  341 
Products of moments of inertia moments of inertia  334 
Rotational Constants rotational constants  338 
Point Group  373 
Vibrations Vibrational Frequencies vibrations  338 
Vibrational Intensities  336 
Zero-point energies  338 
Vibrational scaling factors  
Anharmonic frequencies and constants      
Electronic States Electronic states   0  
Electrostatics Atom charges   234  
Dipole dipole  234 
Quadrupole quadrupole  234 
Polarizability polarizability  229 
Other results Spin   0  
Number of basis functions   29  
Diagnostics   0  
Conformations   2 x