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

All data (experiment and calculated) in the CCCBDB for CCH2 (vinylidene)

INChI
InChI=1/C2H2/c1-2/h1H2

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   452  
Energy 298.15K   258  
Atomization Enthalpy 298.15K  221 
Atomization Enthalpy 0K  221 
Entropy (298.15K) entropy  231 
Entropy at any temperature   231  
Integrated Heat Capacity integrated heat capacity  231 
Heat Capacity (Cp) Heat capacity  231 
Nuclear Repulsion Energy   438  
HOMO-LUMO Energies HOMO energies   423  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  431  
Internal Coordinates bond lengths bond angles  431 
Products of moments of inertia moments of inertia  433 
Rotational Constants rotational constants  445 
Point Group  446 
Vibrations Vibrational Frequencies vibrations x456x
Vibrational Intensities  428 
Zero-point energies  456 
Vibrational scaling factors  
Anharmonic frequencies and constants   4  
Electronic States Electronic states x 198  
Electrostatics Atom charges   253  
Dipole dipole  251 
Quadrupole quadrupole  251 
Polarizability polarizability  236 
Other results Spin   11  
Number of basis functions   31  
Diagnostics   6  
Conformations   1