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

1907021335
INChI
InChI=1S/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   1269  
Energy 298.15K   129  
Atomization Enthalpy 298.15K x64x
Atomization Enthalpy 0K  64 
Entropy (298.15K) entropy x25x
Entropy at any temperature   25  
Integrated Heat Capacity integrated heat capacity x25x
Heat Capacity (Cp) Heat capacity x25x
Nuclear Repulsion Energy   1222  
HOMO-LUMO Energies HOMO energies   1047  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians x1207  
Internal Coordinates bond lengths bond angles x1207x
Products of moments of inertia moments of inertia x1208x
Rotational Constants rotational constants x1220x
Point Group  1224 
Vibrations Vibrational Frequencies vibrations fun. 1220x
Vibrational Intensities  1851 
Zero-point energies x1220x
Vibrational scaling factors x
Anharmonic frequencies and constants      
Raman frequencies and intensities   61  
Electronic States Electronic states x 0  
Electrostatics Atom charges   700  
Dipole dipole x917x
Quadrupole quadrupole  783 
Polarizability polarizability  786 
Other results Spin   0  
Number of basis functions   97  
Conformations   2 x