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

All data (experiment and calculated) in the CCCBDB for Na2+ (sodium dimer cation)

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      
Enthalpy 0K enthalpy of formation      
Energy 0K   222  
Energy 298.15K   8  
Atomization Enthalpy 298.15K  5 
Atomization Enthalpy 0K  157 
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   216  
HOMO-LUMO Energies HOMO energies   216  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians x202  
Internal Coordinates bond lengths bond angles x202x
Products of moments of inertia moments of inertia x211x
Rotational Constants rotational constants x216x
Point Group  217 
Vibrations Vibrational Frequencies vibrations x216x
Vibrational Intensities  203 
Zero-point energies x216x
Vibrational scaling factors x
Anharmonic frequencies and constants      
Electronic States Electronic states x 0  
Electrostatics Atom charges   124  
Dipole dipole  11 
Quadrupole quadrupole  129 
Polarizability polarizability  130 
Other results Spin   216  
Number of basis functions   31  
Diagnostics   1  
Conformations   1