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

All data (experiment and calculated) in the CCCBDB for He (Helium atom)

Other names
UN 1046; UN 1963; Helium;

An "x" indicates that data is available. A number indicates how many calculations have been completed.
Property Experiment Calculated Comparison
Enthalpy 298.15K enthalpy of formation x    
Enthalpy 0K enthalpy of formation x    
Energy 0K   664  
Energy 298.15K   267  
Atomization Enthalpy 298.15K x0x
Atomization Enthalpy 0K x0x
Entropy (298.15K) entropy x251x
Entropy at any temperature   251  
Integrated Heat Capacity integrated heat capacity  251 
Heat Capacity (Cp) Heat capacity x251x
Nuclear Repulsion Energy   46  
HOMO-LUMO Energies HOMO energies   166  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians x3  
Internal Coordinates bond lengths bond angles  0 
Products of moments of inertia moments of inertia  0 
Rotational Constants rotational constants  0 
Point Group  507 
Vibrations Vibrational Frequencies vibrations  0 
Vibrational Intensities  0 
Zero-point energies x0x
Vibrational scaling factors x
Anharmonic frequencies and constants      
Electronic States Electronic states x 0  
Electrostatics Atom charges   79  
Dipole dipole  79 
Quadrupole quadrupole  309 
Polarizability polarizability x51x
Other results Spin   5  
Number of basis functions   8  
Diagnostics   4  
Conformations   1