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

All data (experiment and calculated) in the CCCBDB for CHF2Cl (difluorochloromethane)

Other names
Methane, chlorodifluoro-; Chlorodifluoromethane; Difluoromonochloromethane; Freon 22; Genetron 22; Monochlorodifluoromethane; R 22;
INChI
InChI=1/CHClF2/c2-1(3)4/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 x    
Enthalpy 0K enthalpy of formation      
Energy 0K   242  
Energy 298.15K   208  
Atomization Enthalpy 298.15K x189x
Atomization Enthalpy 0K  194 
Entropy (298.15K) entropy x185x
Entropy at any temperature   185  
Integrated Heat Capacity integrated heat capacity  185 
Heat Capacity (Cp) Heat capacity  185 
Nuclear Repulsion Energy   219  
HOMO-LUMO Energies HOMO energies   220  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  219  
Internal Coordinates bond lengths bond angles x219x
Products of moments of inertia moments of inertia x214x
Rotational Constants rotational constants x221x
Point Group  221 
Vibrations Vibrational Frequencies vibrations x219x
Vibrational Intensities  214 
Zero-point energies x219x
Vibrational scaling factors x
Anharmonic frequencies and constants   2  
Electronic States Electronic states x 0  
Electrostatics Atom charges   141  
Dipole dipole  141 
Quadrupole quadrupole  138 
Polarizability polarizability  141 
Other results Spin   0  
Number of basis functions   6  
Diagnostics   5  
Conformations   1