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All data (experiment and calculated) in the CCCBDB for C3H4 (cyclopropene)

1907021335
Other names
Cyclopropene;
INChI
InChI=1S/C3H4/c1-2-3-1/h1-2H,3H2

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 x    
Energy 0K   615  
Energy 298.15K   576  
Atomization Enthalpy 298.15K x0x
Atomization Enthalpy 0K x0x
Entropy (298.15K) entropy x0x
Entropy at any temperature   0  
Integrated Heat Capacity integrated heat capacity  0 
Heat Capacity (Cp) Heat capacity x0x
Nuclear Repulsion Energy   616  
HOMO-LUMO Energies HOMO energies   544  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians x616  
Internal Coordinates bond lengths bond angles x616x
Products of moments of inertia moments of inertia x608x
Rotational Constants rotational constants x616x
Point Group  617 
Vibrations Vibrational Frequencies vibrations fun. 626x
Vibrational Intensities  784 
Zero-point energies x626x
Vibrational scaling factors x
Anharmonic frequencies and constants      
Raman frequencies and intensities   427  
Electronic States Electronic states x 0  
Electrostatics Atom charges   343  
Dipole dipole x489x
Quadrupole quadrupole x398x
Polarizability polarizability  407 
Other results Spin   0  
Number of basis functions   35  
Conformations   1