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All data (experiment and calculated) in the CCCBDB for Ne (Neon atom)

1907021335
Other names
Neon;
INChI
InChI=1S/Ne

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   1536  
Energy 298.15K   111  
Atomization Enthalpy 298.15K x0x
Atomization Enthalpy 0K  0 
Entropy (298.15K) entropy x72x
Entropy at any temperature   72  
Integrated Heat Capacity integrated heat capacity x72x
Heat Capacity (Cp) Heat capacity x72x
Nuclear Repulsion Energy   744  
HOMO-LUMO Energies HOMO energies   234  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians x176  
Internal Coordinates bond lengths bond angles  0 
Products of moments of inertia moments of inertia  0 
Rotational Constants rotational constants  0 
Point Group  1442 
Vibrations Vibrational Frequencies vibrations  0 
Vibrational Intensities  0 
Zero-point energies x0x
Vibrational scaling factors x
Anharmonic frequencies and constants      
Raman frequencies and intensities   0  
Electronic States Electronic states x 656  
Electrostatics Atom charges   356  
Dipole dipole  457 
Quadrupole quadrupole  736 
Polarizability polarizability x125x
Other results Spin   659  
Number of basis functions   116  
Conformations   1