return to home page Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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All data (experiment and calculated) in the CCCBDB for GeH+ (Germaniun monohyrdide cation)

1907021335
INChI
InChI=1S/GeH/h1H/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      
Enthalpy 0K enthalpy of formation      
Energy 0K   491  
Energy 298.15K   461  
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   492  
HOMO-LUMO Energies HOMO energies   417  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  491  
Internal Coordinates bond lengths bond angles  491 
Products of moments of inertia moments of inertia x471x
Rotational Constants rotational constants x479x
Point Group  493 
Vibrations Vibrational Frequencies vibrations fun. har.479x
Vibrational Intensities  421 
Zero-point energies x479x
Vibrational scaling factors x
Anharmonic frequencies and constants      
Raman frequencies and intensities   5  
Electronic States Electronic states x 0  
Electrostatics Atom charges   276  
Dipole dipole  379 
Quadrupole quadrupole  307 
Polarizability polarizability  323 
Other results Spin   0  
Number of basis functions   63  
Conformations   1