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

All data (experiment and calculated) in the CCCBDB for C5H7 (cyclopentenyl radical)

INChI
InChI=1S/C5H7/c1-2-4-5-3-1/h1-3H,4-5H2

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   263  
Energy 298.15K   8  
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   262  
HOMO-LUMO Energies HOMO energies   257  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  257  
Internal Coordinates bond lengths bond angles  257 
Products of moments of inertia moments of inertia  240 
Rotational Constants rotational constants  246 
Point Group  263 
Vibrations Vibrational Frequencies vibrations  245 
Vibrational Intensities  225 
Zero-point energies  245 
Vibrational scaling factors  
Anharmonic frequencies and constants      
Electronic States Electronic states   0  
Electrostatics Atom charges   148  
Dipole dipole  147 
Quadrupole quadrupole  145 
Polarizability polarizability  137 
Other results Spin   262  
Number of basis functions   4  
Diagnostics   0  
Conformations   1