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

All data (experiment and calculated) in the CCCBDB for C3H3+ (cyclopropenyl cation)

INChI
InChI=1S/C3H3/c1-2-3-1/h1-3H/q+1

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      
Enthalpy 0K enthalpy of formation      
Energy 0K   211  
Energy 298.15K   9  
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   251  
HOMO-LUMO Energies HOMO energies   250  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  250  
Internal Coordinates bond lengths bond angles  250 
Products of moments of inertia moments of inertia  242 
Rotational Constants rotational constants  250 
Point Group  252 
Vibrations Vibrational Frequencies vibrations  264 
Vibrational Intensities  231 
Zero-point energies  264 
Vibrational scaling factors  
Anharmonic frequencies and constants      
Electronic States Electronic states   0  
Electrostatics Atom charges   126  
Dipole dipole  136 
Quadrupole quadrupole  132 
Polarizability polarizability  136 
Other results Spin   0  
Number of basis functions   4  
Diagnostics   0  
Conformations   1