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All data (experiment and calculated) in the CCCBDB for GaH (Gallium monohydride)

1907021335
INChI
InChI=1S/Ga.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      
Enthalpy 0K enthalpy of formation      
Energy 0K   632  
Energy 298.15K   41  
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   632  
HOMO-LUMO Energies HOMO energies   558  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians x632  
Internal Coordinates bond lengths bond angles x632x
Products of moments of inertia moments of inertia x625x
Rotational Constants rotational constants x632x
Point Group  633 
Vibrations Vibrational Frequencies vibrations fun. har.631x
Vibrational Intensities  857 
Zero-point energies x631x
Vibrational scaling factors x
Anharmonic frequencies and constants      
Raman frequencies and intensities   431  
Electronic States Electronic states x 0  
Electrostatics Atom charges   370  
Dipole dipole  522 
Quadrupole quadrupole  427 
Polarizability polarizability  433 
Other results Spin   0  
Number of basis functions   66  
Conformations   1