return to home page

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

All data (experiment and calculated) in the CCCBDB for HCO (Formyl radical)

Other names
Formyl; Formyl radical;

An "x" indicates that data is available. A number indicates how many calculations have been completed.
Property Experiment Calculated Comparison
Enthalpy 298.15K enthalpy of formation x    
Enthalpy 0K enthalpy of formation x    
Energy 0K   309  
Energy 298.15K   273  
Atomization Enthalpy 298.15K x268x
Atomization Enthalpy 0K x274x
Entropy (298.15K) entropy x233x
Entropy at any temperature   233  
Integrated Heat Capacity integrated heat capacity x233x
Heat Capacity (Cp) Heat capacity x233x
Nuclear Repulsion Energy   261  
HOMO-LUMO Energies HOMO energies   238  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians x217  
Internal Coordinates bond lengths bond angles x217x
Products of moments of inertia moments of inertia x234x
Rotational Constants rotational constants x239x
Point Group  239 
Vibrations Vibrational Frequencies vibrations x238x
Vibrational Intensities  220 
Zero-point energies x238x
Vibrational scaling factors x
Anharmonic frequencies and constants   2  
Electronic States Electronic states x 0  
Electrostatics Atom charges   191  
Dipole dipole  171 
Quadrupole quadrupole  173 
Polarizability polarizability  156 
Other results Spin   185  
Number of basis functions   7  
Diagnostics   6  
Conformations   1