return to home page

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

All data (experiment and calculated) in the CCCBDB for Ge2 (Germanium dimer)


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   472  
Energy 298.15K   12  
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   469  
HOMO-LUMO Energies HOMO energies   469  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  469  
Internal Coordinates bond lengths bond angles  469 
Products of moments of inertia moments of inertia  460 
Rotational Constants rotational constants  468 
Point Group  471 
Vibrations Vibrational Frequencies vibrations  466 
Vibrational Intensities  449 
Zero-point energies  466 
Vibrational scaling factors  
Anharmonic frequencies and constants      
Electronic States Electronic states   156  
Electrostatics Atom charges   301  
Dipole dipole  301 
Quadrupole quadrupole  295 
Polarizability polarizability  238 
Other results Spin   315  
Number of basis functions   28  
Diagnostics   0  
Conformations   1