return to home page

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

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

INChI
InChI=1S/GeH2/h1H2/q-1

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 x    
Enthalpy 0K enthalpy of formation      
Energy 0K   368  
Energy 298.15K   6  
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   366  
HOMO-LUMO Energies HOMO energies   366  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  363  
Internal Coordinates bond lengths bond angles  363 
Products of moments of inertia moments of inertia  358 
Rotational Constants rotational constants  363 
Point Group  367 
Vibrations Vibrational Frequencies vibrations x362x
Vibrational Intensities  311 
Zero-point energies  362 
Vibrational scaling factors  
Anharmonic frequencies and constants      
Electronic States Electronic states   0  
Electrostatics Atom charges   208  
Dipole dipole  277 
Quadrupole quadrupole  246 
Polarizability polarizability  196 
Other results Spin   366  
Number of basis functions   51  
Diagnostics   0  
Conformations   1