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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   270  
Energy 298.15K   236  
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   234  
HOMO-LUMO Energies HOMO energies   205  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians x190  
Internal Coordinates bond lengths bond angles  190 
Products of moments of inertia moments of inertia x224x
Rotational Constants rotational constants x227x
Point Group  238 
Vibrations Vibrational Frequencies vibrations x228x
Vibrational Intensities  210 
Zero-point energies x228x
Vibrational scaling factors x
Anharmonic frequencies and constants      
Electronic States Electronic states x 0  
Electrostatics Atom charges   149  
Dipole dipole  144 
Quadrupole quadrupole  186 
Polarizability polarizability  127 
Other results Spin   214  
Number of basis functions   5  
Diagnostics   5  
Conformations   1