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

1907021335
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   276  
Energy 298.15K   260  
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   273  
HOMO-LUMO Energies HOMO energies   273  
Barriers to Internal Rotation internal rotation  175 
Geometries Cartesians  273  
Internal Coordinates bond lengths bond angles  272 
Products of moments of inertia moments of inertia  261 
Rotational Constants rotational constants  268 
Point Group  277 
Vibrations Vibrational Frequencies vibrations fun. 265x
Vibrational Intensities  247 
Zero-point energies  265 
Vibrational scaling factors  
Anharmonic frequencies and constants      
Raman frequencies and intensities   5  
Electronic States Electronic states x 0  
Electrostatics Atom charges   174  
Dipole dipole  177 
Quadrupole quadrupole  171 
Polarizability polarizability  192 
Other results Spin   275  
Number of basis functions   26  
Conformations   1