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

All data (experiment and calculated) in the CCCBDB for COHCl (Formyl chloride)

INChI
InChI=1S/CHClO/c2-1-3/h1H

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   271  
Energy 298.15K   7  
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   266  
HOMO-LUMO Energies HOMO energies   266  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  252  
Internal Coordinates bond lengths bond angles  252 
Products of moments of inertia moments of inertia  243 
Rotational Constants rotational constants  248 
Point Group  267 
Vibrations Vibrational Frequencies vibrations x247x
Vibrational Intensities  229 
Zero-point energies x247x
Vibrational scaling factors x
Anharmonic frequencies and constants      
Electronic States Electronic states   0  
Electrostatics Atom charges   146  
Dipole dipole  146 
Quadrupole quadrupole  143 
Polarizability polarizability  132 
Other results Spin   0  
Number of basis functions   27  
Diagnostics   0  
Conformations   1