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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   239  
Energy 298.15K   9  
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   234  
HOMO-LUMO Energies HOMO energies   234  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  220  
Internal Coordinates bond lengths bond angles  220 
Products of moments of inertia moments of inertia  228 
Rotational Constants rotational constants  234 
Point Group  235 
Vibrations Vibrational Frequencies vibrations  234 
Vibrational Intensities  219 
Zero-point energies  234 
Vibrational scaling factors  
Anharmonic frequencies and constants      
Electronic States Electronic states x 0  
Electrostatics Atom charges   138  
Dipole dipole  143 
Quadrupole quadrupole  143 
Polarizability polarizability  143 
Other results Spin   222  
Number of basis functions   32  
Diagnostics   1  
Conformations   1