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All data (experiment and calculated) in the CCCBDB for C13H10 (Fluorene)

1907021335
Other names
9H-Fluorene; o-Biphenylenemethane; Diphenylenemethane; 2,2'-Methylenebiphenyl;
INChI
InChI=1S/C13H10/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12/h1-8H,9H2

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 x    
Enthalpy 0K enthalpy of formation      
Energy 0K   368  
Energy 298.15K   2  
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 x0x
Nuclear Repulsion Energy   370  
HOMO-LUMO Energies HOMO energies   358  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  367  
Internal Coordinates bond lengths bond angles  8 
Products of moments of inertia moments of inertia x365x
Rotational Constants rotational constants x367x
Point Group  371 
Vibrations Vibrational Frequencies vibrations fun. 348x
Vibrational Intensities  348 
Zero-point energies  348 
Vibrational scaling factors  
Anharmonic frequencies and constants      
Raman frequencies and intensities   346  
Electronic States Electronic states x 0  
Electrostatics Atom charges   294  
Dipole dipole  365 
Quadrupole quadrupole  316 
Polarizability polarizability  344 
Other results Spin   0  
Number of basis functions   25  
Conformations   1