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

All data (experiment and calculated) in the CCCBDB for HCCO (ketenyl radical)

Other names
Ethynyloxy radical;
INChI
InChI=1/C2HO/c1-2-3/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      
Enthalpy 0K enthalpy of formation      
Energy 0K   242  
Energy 298.15K   220  
Atomization Enthalpy 298.15K  195 
Atomization Enthalpy 0K  199 
Entropy (298.15K) entropy  201 
Entropy at any temperature   201  
Integrated Heat Capacity integrated heat capacity  201 
Heat Capacity (Cp) Heat capacity  201 
Nuclear Repulsion Energy   233  
HOMO-LUMO Energies HOMO energies   66  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  218  
Internal Coordinates bond lengths bond angles  218 
Products of moments of inertia moments of inertia x226x
Rotational Constants rotational constants x231x
Point Group  234 
Vibrations Vibrational Frequencies vibrations  229 
Vibrational Intensities  225 
Zero-point energies  229 
Vibrational scaling factors  
Anharmonic frequencies and constants   3  
Electronic States Electronic states x 0  
Electrostatics Atom charges   150  
Dipole dipole  150 
Quadrupole quadrupole  150 
Polarizability polarizability  136 
Other results Spin   231  
Number of basis functions   29  
Diagnostics   6  
Conformations   2 x