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

All data (experiment and calculated) in the CCCBDB for LiOH (lithium hydroxide)

Other names
Lithium Hydroxide; Lithium hydroxide hydrate; Lithium hydroxide, monohydrate; UN 2680;
INChI
InChI=1/Li.H2O/h;1H2/q+1;/p-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 x    
Enthalpy 0K enthalpy of formation x    
Energy 0K   251  
Energy 298.15K   223  
Atomization Enthalpy 298.15K x218x
Atomization Enthalpy 0K x221x
Entropy (298.15K) entropy x187x
Entropy at any temperature   187  
Integrated Heat Capacity integrated heat capacity x187x
Heat Capacity (Cp) Heat capacity x187x
Nuclear Repulsion Energy   215  
HOMO-LUMO Energies HOMO energies   194  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians x190  
Internal Coordinates bond lengths bond angles x190x
Products of moments of inertia moments of inertia x208x
Rotational Constants rotational constants x212x
Point Group  216 
Vibrations Vibrational Frequencies vibrations x212x
Vibrational Intensities  196 
Zero-point energies x212x
Vibrational scaling factors x
Anharmonic frequencies and constants      
Electronic States Electronic states x 0  
Electrostatics Atom charges   147  
Dipole dipole x154x
Quadrupole quadrupole  147 
Polarizability polarizability  137 
Other results Spin   0  
Number of basis functions   4  
Diagnostics   5  
Conformations   1