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

All data (experiment and calculated) in the CCCBDB for GeH3+ (germyl cation)


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   375  
Energy 298.15K   10  
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   376  
HOMO-LUMO Energies HOMO energies   339  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  376  
Internal Coordinates bond lengths bond angles  0 
Products of moments of inertia moments of inertia  368 
Rotational Constants rotational constants  376 
Point Group  377 
Vibrations Vibrational Frequencies vibrations  376 
Vibrational Intensities  339 
Zero-point energies  376 
Vibrational scaling factors  
Anharmonic frequencies and constants      
Electronic States Electronic states   0  
Electrostatics Atom charges   220  
Dipole dipole  286 
Quadrupole quadrupole  247 
Polarizability polarizability  220 
Other results Spin   0  
Number of basis functions   29  
Diagnostics   0  
Conformations   1