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

All data (experiment and calculated) in the CCCBDB for C14H10 (Anthracene)

Other names
Anthracin; Paranaphthalene; Anthracen; Anthracene;
INChI
InChI=1S/C14H10/c1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1/h1-10H

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   144  
Energy 298.15K   8  
Atomization Enthalpy 298.15K x6x
Atomization Enthalpy 0K  125 
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   144  
HOMO-LUMO Energies HOMO energies   17  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  142  
Internal Coordinates bond lengths bond angles  142 
Products of moments of inertia moments of inertia  132 
Rotational Constants rotational constants  137 
Point Group  145 
Vibrations Vibrational Frequencies vibrations  144 
Vibrational Intensities  144 
Zero-point energies  144 
Vibrational scaling factors  
Anharmonic frequencies and constants      
Electronic States Electronic states   0  
Electrostatics Atom charges   102  
Dipole dipole  102 
Quadrupole quadrupole  102 
Polarizability polarizability  102 
Other results Spin   0  
Number of basis functions   24  
Diagnostics   0  
Conformations   2 x