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

All data (experiment and calculated) in the CCCBDB for C4+ (Carbon tetramer cation)

INChI
InChI=1S/C4/c1-3-4-2/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   224  
Energy 298.15K   9  
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   220  
HOMO-LUMO Energies HOMO energies   219  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  219  
Internal Coordinates bond lengths bond angles  219 
Products of moments of inertia moments of inertia  213 
Rotational Constants rotational constants  219 
Point Group  221 
Vibrations Vibrational Frequencies vibrations  232 
Vibrational Intensities  225 
Zero-point energies  232 
Vibrational scaling factors  
Anharmonic frequencies and constants      
Electronic States Electronic states   0  
Electrostatics Atom charges   130  
Dipole dipole  135 
Quadrupole quadrupole  135 
Polarizability polarizability  134 
Other results Spin   219  
Number of basis functions   32  
Diagnostics   0  
Conformations   1