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All data (experiment and calculated) in the CCCBDB for H (Hydrogen atom)

1907021335
Other names
H-atom; Hydrogen; Hydrogen atom; Hydrogen radical;
INChI
InChI=1S/H

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   849  
Energy 298.15K   110  
Atomization Enthalpy 298.15K x0x
Atomization Enthalpy 0K x0x
Entropy (298.15K) entropy x70x
Entropy at any temperature   70  
Integrated Heat Capacity integrated heat capacity x70x
Heat Capacity (Cp) Heat capacity x70x
Nuclear Repulsion Energy   7  
HOMO-LUMO Energies HOMO energies   45  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  0  
Internal Coordinates bond lengths bond angles  0 
Products of moments of inertia moments of inertia  0 
Rotational Constants rotational constants  0 
Point Group  771 
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 0  
Electrostatics Atom charges   51  
Dipole dipole x49x
Quadrupole quadrupole  432 
Polarizability polarizability x28x
Other results Spin   758  
Number of basis functions   71  
Conformations   1