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

All data (experiment and calculated) in the CCCBDB for Ne2 (Neon dimer)

INChI
InChI=1S/Ne2/c1-2

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   265  
Energy 298.15K   7  
Atomization Enthalpy 298.15K  0 
Atomization Enthalpy 0K  0 
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   264  
HOMO-LUMO Energies HOMO energies   261  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians x261  
Internal Coordinates bond lengths bond angles x261x
Products of moments of inertia moments of inertia  245 
Rotational Constants rotational constants  250 
Point Group  265 
Vibrations Vibrational Frequencies vibrations  250 
Vibrational Intensities  250 
Zero-point energies  250 
Vibrational scaling factors  
Anharmonic frequencies and constants      
Electronic States Electronic states x 0  
Electrostatics Atom charges   164  
Dipole dipole  2 
Quadrupole quadrupole  164 
Polarizability polarizability  165 
Other results Spin   0  
Number of basis functions   26  
Diagnostics   0  
Conformations   1