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

All data (experiment and calculated) in the CCCBDB for NaO (sodium monoxide)

Other names
Calcined soda; Disodium monoxide; Disodium oxide; Sodium monoxide; Sodium oxide; UN 1825;
INChI
InChI=1/Na.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 x    
Energy 0K   260  
Energy 298.15K   235  
Atomization Enthalpy 298.15K x236x
Atomization Enthalpy 0K x240x
Entropy (298.15K) entropy x207x
Entropy at any temperature   207  
Integrated Heat Capacity integrated heat capacity x207x
Heat Capacity (Cp) Heat capacity x207x
Nuclear Repulsion Energy   224  
HOMO-LUMO Energies HOMO energies   195  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians x180  
Internal Coordinates bond lengths bond angles  180 
Products of moments of inertia moments of inertia x216x
Rotational Constants rotational constants x218x
Point Group  228 
Vibrations Vibrational Frequencies vibrations x219x
Vibrational Intensities  201 
Zero-point energies x219x
Vibrational scaling factors x
Anharmonic frequencies and constants      
Electronic States Electronic states x 0  
Electrostatics Atom charges   143  
Dipole dipole  139 
Quadrupole quadrupole  183 
Polarizability polarizability  121 
Other results Spin   204  
Number of basis functions   32  
Diagnostics   5  
Conformations   1