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

All data (experiment and calculated) in the CCCBDB for LiO- (lithium oxide anion)

INChI
InChI=1S/Li.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   511  
Energy 298.15K   12  
Atomization Enthalpy 298.15K  0 
Atomization Enthalpy 0K  184 
Entropy (298.15K) entropy x0x
Entropy at any temperature   0  
Integrated Heat Capacity integrated heat capacity  0 
Heat Capacity (Cp) Heat capacity  0 
Nuclear Repulsion Energy   511  
HOMO-LUMO Energies HOMO energies   507  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  493  
Internal Coordinates bond lengths bond angles  493 
Products of moments of inertia moments of inertia  497 
Rotational Constants rotational constants  507 
Point Group  513 
Vibrations Vibrational Frequencies vibrations  524 
Vibrational Intensities  464 
Zero-point energies  524 
Vibrational scaling factors  
Anharmonic frequencies and constants      
Electronic States Electronic states x 262  
Electrostatics Atom charges   299  
Dipole dipole  307 
Quadrupole quadrupole  306 
Polarizability polarizability  255 
Other results Spin   269  
Number of basis functions   32  
Diagnostics   1  
Conformations   1