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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   234  
Energy 298.15K   10  
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   230  
HOMO-LUMO Energies HOMO energies   229  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  229  
Internal Coordinates bond lengths bond angles  229 
Products of moments of inertia moments of inertia  221 
Rotational Constants rotational constants  228 
Point Group  231 
Vibrations Vibrational Frequencies vibrations  241 
Vibrational Intensities  234 
Zero-point energies  241 
Vibrational scaling factors  
Anharmonic frequencies and constants      
Electronic States Electronic states   0  
Electrostatics Atom charges   128  
Dipole dipole  140 
Quadrupole quadrupole  138 
Polarizability polarizability  140 
Other results Spin   229  
Number of basis functions   4  
Diagnostics   0  
Conformations   1