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

All data (experiment and calculated) in the CCCBDB for Be2- (Beryllium dimer anion)

INChI
InChI=1S/2Be/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   287  
Energy 298.15K   10  
Atomization Enthalpy 298.15K  6 
Atomization Enthalpy 0K  209 
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   282  
HOMO-LUMO Energies HOMO energies   282  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  265  
Internal Coordinates bond lengths bond angles  265 
Products of moments of inertia moments of inertia  275 
Rotational Constants rotational constants  282 
Point Group  283 
Vibrations Vibrational Frequencies vibrations  283 
Vibrational Intensities  248 
Zero-point energies  283 
Vibrational scaling factors  
Anharmonic frequencies and constants      
Electronic States Electronic states x 0  
Electrostatics Atom charges   156  
Dipole dipole  161 
Quadrupole quadrupole  161 
Polarizability polarizability  137 
Other results Spin   279  
Number of basis functions   35  
Diagnostics   1  
Conformations   1