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

All data (experiment and calculated) in the CCCBDB for Be2+ (Beryllium diatomic cation)

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   253  
Energy 298.15K   238  
Atomization Enthalpy 298.15K  0 
Atomization Enthalpy 0K  0 
Entropy (298.15K) entropy  220 
Entropy at any temperature   220  
Integrated Heat Capacity integrated heat capacity  220 
Heat Capacity (Cp) Heat capacity  220 
Nuclear Repulsion Energy   247  
HOMO-LUMO Energies HOMO energies   247  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  233  
Internal Coordinates bond lengths bond angles  233 
Products of moments of inertia moments of inertia  240 
Rotational Constants rotational constants  247 
Point Group  248 
Vibrations Vibrational Frequencies vibrations  248 
Vibrational Intensities  229 
Zero-point energies  248 
Vibrational scaling factors  
Anharmonic frequencies and constants      
Electronic States Electronic states x 0  
Electrostatics Atom charges   136  
Dipole dipole  141 
Quadrupole quadrupole  86 
Polarizability polarizability  141 
Other results Spin   14  
Number of basis functions   35  
Diagnostics   1  
Conformations   1