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

All data (experiment and calculated) in the CCCBDB for Na2CO3 (Sodium Carbonate)


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   313  
Energy 298.15K   2  
Atomization Enthalpy 298.15K  0 
Atomization Enthalpy 0K  0 
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   315  
HOMO-LUMO Energies HOMO energies   281  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  315  
Internal Coordinates bond lengths bond angles  315 
Products of moments of inertia moments of inertia  313 
Rotational Constants rotational constants  314 
Point Group  316 
Vibrations Vibrational Frequencies vibrations  312 
Vibrational Intensities  280 
Zero-point energies  312 
Vibrational scaling factors  
Anharmonic frequencies and constants      
Electronic States Electronic states   0  
Electrostatics Atom charges   192  
Dipole dipole  256 
Quadrupole quadrupole  228 
Polarizability polarizability  192 
Other results Spin   0  
Number of basis functions   28  
Diagnostics   0  
Conformations   1