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 GeF+ (Germanium monofluoride cation)

1907021335
INChI
InChI=1S/FGe/c1-2/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   496  
Energy 298.15K   466  
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   480  
HOMO-LUMO Energies HOMO energies   433  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians x496  
Internal Coordinates bond lengths bond angles x496x
Products of moments of inertia moments of inertia x476x
Rotational Constants rotational constants x484x
Point Group  498 
Vibrations Vibrational Frequencies vibrations fun. har.484x
Vibrational Intensities  437 
Zero-point energies x484x
Vibrational scaling factors x
Anharmonic frequencies and constants      
Raman frequencies and intensities   5  
Electronic States Electronic states x 0  
Electrostatics Atom charges   294  
Dipole dipole  396 
Quadrupole quadrupole  324 
Polarizability polarizability  339 
Other results Spin   0  
Number of basis functions   63  
Conformations   1