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

All data (experiment and calculated) in the CCCBDB for CHFCl2 (fluorodichloromethane)

Other names
Methane, dichlorofluoro-; Dichlorofluoromethane; Dichloromonofluoromethane; Freon 21; Genetron 21; Monofluorodichloromethane; R 21; UN 1029;
INChI
InChI=1/CHCl2F/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   223  
Energy 298.15K   206  
Atomization Enthalpy 298.15K x189x
Atomization Enthalpy 0K  194 
Entropy (298.15K) entropy x184x
Entropy at any temperature   184  
Integrated Heat Capacity integrated heat capacity  184 
Heat Capacity (Cp) Heat capacity  184 
Nuclear Repulsion Energy   200  
HOMO-LUMO Energies HOMO energies   200  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  202  
Internal Coordinates bond lengths bond angles  202 
Products of moments of inertia moments of inertia  197 
Rotational Constants rotational constants  203 
Point Group  202 
Vibrations Vibrational Frequencies vibrations  201 
Vibrational Intensities  197 
Zero-point energies  201 
Vibrational scaling factors  
Anharmonic frequencies and constants   3  
Electronic States Electronic states x 0  
Electrostatics Atom charges   129  
Dipole dipole  129 
Quadrupole quadrupole  128 
Polarizability polarizability  130 
Other results Spin   0  
Number of basis functions   28  
Diagnostics   5  
Conformations   1