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All data (experiment and calculated) in the CCCBDB for C2H4OH+ (ethylene oxide, protonated)

1907021335
INChI
InChI=1S/C2H4O/c1-2-3-1/h1-2H2/p+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   559  
Energy 298.15K   10  
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   535  
HOMO-LUMO Energies HOMO energies   500  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  550  
Internal Coordinates bond lengths bond angles  24 
Products of moments of inertia moments of inertia  551 
Rotational Constants rotational constants  559 
Point Group  561 
Vibrations Vibrational Frequencies vibrations  6 
Vibrational Intensities  6 
Zero-point energies  6 
Vibrational scaling factors  
Anharmonic frequencies and constants      
Raman frequencies and intensities   5  
Electronic States Electronic states x 0  
Electrostatics Atom charges   327  
Dipole dipole  451 
Quadrupole quadrupole  369 
Polarizability polarizability  387 
Other results Spin   1  
Number of basis functions   0  
Conformations   1