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 GeH3F (monofluorogermane)

1907021335
INChI
InChI=1S/FGeH3/c1-2/h2H3

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   564  
Energy 298.15K   10  
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   565  
HOMO-LUMO Energies HOMO energies   513  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians x565  
Internal Coordinates bond lengths bond angles x565x
Products of moments of inertia moments of inertia x557x
Rotational Constants rotational constants x565x
Point Group  566 
Vibrations Vibrational Frequencies vibrations fun. 554x
Vibrational Intensities  554 
Zero-point energies x554x
Vibrational scaling factors x
Anharmonic frequencies and constants      
Raman frequencies and intensities   413  
Electronic States Electronic states   0  
Electrostatics Atom charges   352  
Dipole dipole x483x
Quadrupole quadrupole  407 
Polarizability polarizability  417 
Other results Spin   0  
Number of basis functions   33  
Conformations   1