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

All data (experiment and calculated) in the CCCBDB for Na2- (sodium dimer anion)

INChI
InChI=1S/2Na/q;-1

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      
Energy 0K   231  
Energy 298.15K   8  
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   224  
HOMO-LUMO Energies HOMO energies   225  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  210  
Internal Coordinates bond lengths bond angles  210 
Products of moments of inertia moments of inertia  220 
Rotational Constants rotational constants  225 
Point Group  225 
Vibrations Vibrational Frequencies vibrations  225 
Vibrational Intensities  210 
Zero-point energies  225 
Vibrational scaling factors  
Anharmonic frequencies and constants      
Electronic States Electronic states x 0  
Electrostatics Atom charges   127  
Dipole dipole  132 
Quadrupole quadrupole  132 
Polarizability polarizability  132 
Other results Spin   212  
Number of basis functions   31  
Diagnostics   1  
Conformations   1