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

All data (experiment and calculated) in the CCCBDB for NaLi- (lithium sodium anion)

INChI
InChI=1S/Li.Na/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   249  
Energy 298.15K   10  
Atomization Enthalpy 298.15K  5 
Atomization Enthalpy 0K  197 
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   244  
HOMO-LUMO Energies HOMO energies   244  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  230  
Internal Coordinates bond lengths bond angles  230 
Products of moments of inertia moments of inertia  236 
Rotational Constants rotational constants  243 
Point Group  245 
Vibrations Vibrational Frequencies vibrations  243 
Vibrational Intensities  228 
Zero-point energies  243 
Vibrational scaling factors  
Anharmonic frequencies and constants      
Electronic States Electronic states x 0  
Electrostatics Atom charges   136  
Dipole dipole  148 
Quadrupole quadrupole  146 
Polarizability polarizability  149 
Other results Spin   234  
Number of basis functions   5  
Diagnostics   1  
Conformations   1