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

All data (experiment and calculated) in the CCCBDB for NaLi+ (lithium sodium cation)

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   241  
Energy 298.15K   9  
Atomization Enthalpy 298.15K  5 
Atomization Enthalpy 0K  166 
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   235  
HOMO-LUMO Energies HOMO energies   235  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  222  
Internal Coordinates bond lengths bond angles  222 
Products of moments of inertia moments of inertia  228 
Rotational Constants rotational constants  234 
Point Group  236 
Vibrations Vibrational Frequencies vibrations  235 
Vibrational Intensities  220 
Zero-point energies  235 
Vibrational scaling factors  
Anharmonic frequencies and constants      
Electronic States Electronic states x 0  
Electrostatics Atom charges   125  
Dipole dipole  137 
Quadrupole quadrupole  135 
Polarizability polarizability  139 
Other results Spin   235  
Number of basis functions   5  
Diagnostics   1  
Conformations   1