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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   247  
Energy 298.15K   8  
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   246  
HOMO-LUMO Energies HOMO energies   243  
Barriers to Internal Rotation internal rotation  7 
Geometries Cartesians  243  
Internal Coordinates bond lengths bond angles  243 
Products of moments of inertia moments of inertia  231 
Rotational Constants rotational constants  237 
Point Group  247 
Vibrations Vibrational Frequencies vibrations  237 
Vibrational Intensities  232 
Zero-point energies  237 
Vibrational scaling factors  
Anharmonic frequencies and constants      
Electronic States Electronic states x 0  
Electrostatics Atom charges   146  
Dipole dipole  146 
Quadrupole quadrupole  142 
Polarizability polarizability  131 
Other results Spin   245  
Number of basis functions   26  
Diagnostics   0  
Conformations   1