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

All data (experiment and calculated) in the CCCBDB for GeH3 (Germyl radical)


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      
Enthalpy 0K enthalpy of formation      
Energy 0K   317  
Energy 298.15K   8  
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   316  
HOMO-LUMO Energies HOMO energies   316  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  316  
Internal Coordinates bond lengths bond angles  316 
Products of moments of inertia moments of inertia  308 
Rotational Constants rotational constants  314 
Point Group  317 
Vibrations Vibrational Frequencies vibrations  313 
Vibrational Intensities  275 
Zero-point energies  313 
Vibrational scaling factors  
Anharmonic frequencies and constants      
Electronic States Electronic states x 0  
Electrostatics Atom charges   189  
Dipole dipole  189 
Quadrupole quadrupole  186 
Polarizability polarizability  174 
Other results Spin   316  
Number of basis functions   29  
Diagnostics   0  
Conformations   1