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

All data (experiment and calculated) in the CCCBDB for H2- (hydrogen diatomic anion)

INChI
InChI=1S/H2/h1H/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   257  
Energy 298.15K   66  
Atomization Enthalpy 298.15K  5 
Atomization Enthalpy 0K  214 
Entropy (298.15K) entropy  53 
Entropy at any temperature   53  
Integrated Heat Capacity integrated heat capacity  53 
Heat Capacity (Cp) Heat capacity  53 
Nuclear Repulsion Energy   251  
HOMO-LUMO Energies HOMO energies   251  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  237  
Internal Coordinates bond lengths bond angles  237 
Products of moments of inertia moments of inertia  68 
Rotational Constants rotational constants  71 
Point Group  252 
Vibrations Vibrational Frequencies vibrations  252 
Vibrational Intensities  226 
Zero-point energies  252 
Vibrational scaling factors  
Anharmonic frequencies and constants      
Electronic States Electronic states x 0  
Electrostatics Atom charges   134  
Dipole dipole  139 
Quadrupole quadrupole  139 
Polarizability polarizability  135 
Other results Spin   225  
Number of basis functions   34  
Diagnostics   1  
Conformations   1