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

All data (experiment and calculated) in the CCCBDB for C2H3+ (vinyl cation)

INChI
InChI=1S/C2H3/c1-2/h1H,2H2/q+1

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   440  
Energy 298.15K   17  
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   434  
HOMO-LUMO Energies HOMO energies   434  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  434  
Internal Coordinates bond lengths bond angles  434 
Products of moments of inertia moments of inertia  422 
Rotational Constants rotational constants  434 
Point Group  436 
Vibrations Vibrational Frequencies vibrations  460 
Vibrational Intensities  414 
Zero-point energies  460 
Vibrational scaling factors  
Anharmonic frequencies and constants      
Electronic States Electronic states   0  
Electrostatics Atom charges   245  
Dipole dipole  250 
Quadrupole quadrupole  250 
Polarizability polarizability  235 
Other results Spin   11  
Number of basis functions   32  
Diagnostics   1  
Conformations   2 x