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

All data (experiment and calculated) in the CCCBDB for C3 (carbon trimer)

INChI
InChI=1/C3/c1-3-2

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   260  
Energy 298.15K   248  
Atomization Enthalpy 298.15K x240x
Atomization Enthalpy 0K  240 
Entropy (298.15K) entropy x207x
Entropy at any temperature   207  
Integrated Heat Capacity integrated heat capacity x207x
Heat Capacity (Cp) Heat capacity x207x
Nuclear Repulsion Energy   206  
HOMO-LUMO Energies HOMO energies   196  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians x182  
Internal Coordinates bond lengths bond angles x182x
Products of moments of inertia moments of inertia x204x
Rotational Constants rotational constants x208x
Point Group  208 
Vibrations Vibrational Frequencies vibrations x208x
Vibrational Intensities  193 
Zero-point energies x208x
Vibrational scaling factors x
Anharmonic frequencies and constants      
Electronic States Electronic states x 0  
Electrostatics Atom charges   137  
Dipole dipole x136x
Quadrupole quadrupole  135 
Polarizability polarizability  89 
Other results Spin   1  
Number of basis functions   32  
Diagnostics   5  
Conformations   1