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

All data (experiment and calculated) in the CCCBDB for CH2CHO (Vinyloxy radical)

INChI
InChI=1S/C2H3O/c1-2-3/h2H,1H2

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   236  
Energy 298.15K   6  
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   235  
HOMO-LUMO Energies HOMO energies   232  
Barriers to Internal Rotation internal rotation  7 
Geometries Cartesians  232  
Internal Coordinates bond lengths bond angles  232 
Products of moments of inertia moments of inertia  222 
Rotational Constants rotational constants  226 
Point Group  236 
Vibrations Vibrational Frequencies vibrations  227 
Vibrational Intensities  222 
Zero-point energies  227 
Vibrational scaling factors  
Anharmonic frequencies and constants      
Electronic States Electronic states x 0  
Electrostatics Atom charges   140  
Dipole dipole  140 
Quadrupole quadrupole  139 
Polarizability polarizability  126 
Other results Spin   234  
Number of basis functions   25  
Diagnostics   0  
Conformations   1