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

1907021335
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   282  
Energy 298.15K   258  
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   288  
HOMO-LUMO Energies HOMO energies   286  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  286  
Internal Coordinates bond lengths bond angles  285 
Products of moments of inertia moments of inertia  273 
Rotational Constants rotational constants  276 
Point Group  292 
Vibrations Vibrational Frequencies vibrations  273 
Vibrational Intensities  261 
Zero-point energies  273 
Vibrational scaling factors  
Anharmonic frequencies and constants      
Raman frequencies and intensities   4  
Electronic States Electronic states x 0  
Electrostatics Atom charges   178  
Dipole dipole  181 
Quadrupole quadrupole  176 
Polarizability polarizability  172 
Other results Spin   290  
Number of basis functions   7  
Conformations   1