return to home page

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

All data (experiment and calculated) in the CCCBDB for LiH- (lithium hydride 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 x    
Enthalpy 0K enthalpy of formation      
Energy 0K   280  
Energy 298.15K   11  
Atomization Enthalpy 298.15K  5 
Atomization Enthalpy 0K  226 
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   276  
HOMO-LUMO Energies HOMO energies   276  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  261  
Internal Coordinates bond lengths bond angles  261 
Products of moments of inertia moments of inertia  267 
Rotational Constants rotational constants  275 
Point Group  277 
Vibrations Vibrational Frequencies vibrations  276 
Vibrational Intensities  247 
Zero-point energies  276 
Vibrational scaling factors  
Anharmonic frequencies and constants      
Electronic States Electronic states x 0  
Electrostatics Atom charges   142  
Dipole dipole  154 
Quadrupole quadrupole  152 
Polarizability polarizability  133 
Other results Spin   264  
Number of basis functions   6  
Diagnostics   1  
Conformations   1