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

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


An "x" indicates that data is available. A number indicates how many calculations have been completed.
Property Experiment Calculated Comparison
Enthalpy 298.15K enthalpy of formation      
Enthalpy 0K enthalpy of formation      
Energy 0K   840  
Energy 298.15K   265  
Atomization Enthalpy 298.15K  220 
Atomization Enthalpy 0K  220 
Entropy (298.15K) entropy  230 
Entropy at any temperature   230  
Integrated Heat Capacity integrated heat capacity  230 
Heat Capacity (Cp) Heat capacity  230 
Nuclear Repulsion Energy   824  
HOMO-LUMO Energies HOMO energies   809  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  816  
Internal Coordinates bond lengths bond angles  816 
Products of moments of inertia moments of inertia  811 
Rotational Constants rotational constants  831 
Point Group  833 
Vibrations Vibrational Frequencies vibrations x839x
Vibrational Intensities  774 
Zero-point energies  839 
Vibrational scaling factors  
Anharmonic frequencies and constants   2  
Electronic States Electronic states x 572  
Electrostatics Atom charges   476  
Dipole dipole  543 
Quadrupole quadrupole  510 
Polarizability polarizability  443 
Other results Spin   384  
Number of basis functions   36  
Diagnostics   6  
Conformations   1