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

All data (experiment and calculated) in the CCCBDB for BeO+ (Beryllium monoxide cation)

INChI
InChI=1S/Be.O/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   279  
Energy 298.15K   10  
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   274  
HOMO-LUMO Energies HOMO energies   274  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  258  
Internal Coordinates bond lengths bond angles  258 
Products of moments of inertia moments of inertia  267 
Rotational Constants rotational constants  274 
Point Group  275 
Vibrations Vibrational Frequencies vibrations  275 
Vibrational Intensities  244 
Zero-point energies  275 
Vibrational scaling factors  
Anharmonic frequencies and constants      
Electronic States Electronic states x 0  
Electrostatics Atom charges   155  
Dipole dipole  160 
Quadrupole quadrupole  160 
Polarizability polarizability  144 
Other results Spin   272  
Number of basis functions   33  
Diagnostics   1  
Conformations   1