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

All data (experiment and calculated) in the CCCBDB for C8H6 (Pentalene)

INChI
InChI=1S/C8H6/c1-3-7-5-2-6-8(7)4-1/h1-6H

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   261  
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   262  
HOMO-LUMO Energies HOMO energies   262  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  262  
Internal Coordinates bond lengths bond angles  262 
Products of moments of inertia moments of inertia  251 
Rotational Constants rotational constants  258 
Point Group  263 
Vibrations Vibrational Frequencies vibrations  257 
Vibrational Intensities  253 
Zero-point energies  257 
Vibrational scaling factors  
Anharmonic frequencies and constants      
Electronic States Electronic states   0  
Electrostatics Atom charges   173  
Dipole dipole  229 
Quadrupole quadrupole  202 
Polarizability polarizability  173 
Other results Spin   0  
Number of basis functions   26  
Diagnostics   0  
Conformations   1