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

All data (experiment and calculated) in the CCCBDB for COFCl (Carbonic chloride fluoride)

Other names
Carbonyl chloride fluoride; Carbonyl chlorofluoride; carbonic chloride fluoride;
INChI
InChI=1S/CClFO/c2-1(3)4

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      
Energy 0K   271  
Energy 298.15K   7  
Atomization Enthalpy 298.15K  0 
Atomization Enthalpy 0K  0 
Entropy (298.15K) entropy x0x
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  242 
Rotational Constants rotational constants  247 
Point Group  267 
Vibrations Vibrational Frequencies vibrations x246x
Vibrational Intensities  229 
Zero-point energies x246x
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