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

All data (experiment and calculated) in the CCCBDB for GeH2 (germylene)


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   256  
Energy 298.15K   7  
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   255  
HOMO-LUMO Energies HOMO energies   45  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  252  
Internal Coordinates bond lengths bond angles  252 
Products of moments of inertia moments of inertia  242 
Rotational Constants rotational constants  247 
Point Group  256 
Vibrations Vibrational Frequencies vibrations x246x
Vibrational Intensities  215 
Zero-point energies x246x
Vibrational scaling factors x
Anharmonic frequencies and constants      
Electronic States Electronic states   0  
Electrostatics Atom charges   137  
Dipole dipole  137 
Quadrupole quadrupole  134 
Polarizability polarizability  123 
Other results Spin   0  
Number of basis functions   51  
Diagnostics   0  
Conformations   1