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

All data (experiment and calculated) in the CCCBDB for HFCO (formyl fluoride)

INChI
InChI=1/CHFO/c2-1-3/h1H

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   231  
Energy 298.15K   221  
Atomization Enthalpy 298.15K x194x
Atomization Enthalpy 0K  192 
Entropy (298.15K) entropy x202x
Entropy at any temperature   202  
Integrated Heat Capacity integrated heat capacity  202 
Heat Capacity (Cp) Heat capacity  202 
Nuclear Repulsion Energy   226  
HOMO-LUMO Energies HOMO energies   226  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians x215  
Internal Coordinates bond lengths bond angles x215x
Products of moments of inertia moments of inertia x219x
Rotational Constants rotational constants x225x
Point Group  227 
Vibrations Vibrational Frequencies vibrations  226 
Vibrational Intensities  222 
Zero-point energies  226 
Vibrational scaling factors  
Anharmonic frequencies and constants   1  
Electronic States Electronic states x 0  
Electrostatics Atom charges   141  
Dipole dipole  141 
Quadrupole quadrupole  141 
Polarizability polarizability  142 
Other results Spin   0  
Number of basis functions   30  
Diagnostics   1  
Conformations   1