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

All data (experiment and calculated) in the CCCBDB for BeO- (Beryllium monoxide anion)


An "x" indicates that data is available. A number indicates how many calculations have been completed.
Property Experiment Calculated Comparison
Enthalpy 298.15K enthalpy of formation      
Enthalpy 0K enthalpy of formation      
Energy 0K   293  
Energy 298.15K   11  
Atomization Enthalpy 298.15K  6 
Atomization Enthalpy 0K  205 
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   288  
HOMO-LUMO Energies HOMO energies   288  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  272  
Internal Coordinates bond lengths bond angles  272 
Products of moments of inertia moments of inertia  279 
Rotational Constants rotational constants  287 
Point Group  289 
Vibrations Vibrational Frequencies vibrations  288 
Vibrational Intensities  254 
Zero-point energies  288 
Vibrational scaling factors  
Anharmonic frequencies and constants      
Electronic States Electronic states x 0  
Electrostatics Atom charges   153  
Dipole dipole  165 
Quadrupole quadrupole  163 
Polarizability polarizability  150 
Other results Spin   277  
Number of basis functions   59  
Diagnostics   1  
Conformations   1