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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   225  
Energy 298.15K   207  
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   202  
HOMO-LUMO Energies HOMO energies   202  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  203  
Internal Coordinates bond lengths bond angles x203x
Products of moments of inertia moments of inertia x198x
Rotational Constants rotational constants x204x
Point Group  204 
Vibrations Vibrational Frequencies vibrations x203x
Vibrational Intensities  198 
Zero-point energies x203x
Vibrational scaling factors x
Anharmonic frequencies and constants   3  
Electronic States Electronic states x 0  
Electrostatics Atom charges   131  
Dipole dipole  130 
Quadrupole quadrupole  129 
Polarizability polarizability  131 
Other results Spin   0  
Number of basis functions   28  
Diagnostics   5  
Conformations   1