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

All data (experiment and calculated) in the CCCBDB for CCO (Dicarbon monoxide)


An "x" indicates that data is available. A number indicates how many calculations have been completed.
Property Experiment Calculated Comparison
Enthalpy 298.15K enthalpy of formation      
Enthalpy 0K enthalpy of formation      
Energy 0K   36  
Energy 298.15K   5  
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   36  
HOMO-LUMO Energies HOMO energies   36  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  36  
Internal Coordinates bond lengths bond angles  34 
Products of moments of inertia moments of inertia  30 
Rotational Constants rotational constants  35 
Point Group  38 
Vibrations Vibrational Frequencies vibrations x34x
Vibrational Intensities  34 
Zero-point energies  34 
Vibrational scaling factors  
Anharmonic frequencies and constants      
Electronic States Electronic states x 15  
Electrostatics Atom charges   22  
Dipole dipole  23 
Quadrupole quadrupole  17 
Polarizability polarizability  25 
Other results Spin   21  
Number of basis functions   4  
Diagnostics   0  
Conformations   1