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

All data (experiment and calculated) in the CCCBDB for CH3CHF2 (Ethane, 1,1-difluoro-)

Other names
1,1-Difluoroethane; Algofrene Type 67; Difluoroethane; Dymel 152; Ethane, 1,1-difluoro-; Ethylene fluoride; Ethylidene difluoride; Ethylidene fluoride; FC 152a; Freon 152; Freon 152a; GENETRON 100; Genetron 152a; Halocarbon 152A; Propellant 152a; R 152a; UN 1030;
INChI
InChI=1/C2H4F2/c1-2(3)4/h2H,1H3

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 x    
Energy 0K   236  
Energy 298.15K   224  
Atomization Enthalpy 298.15K x218x
Atomization Enthalpy 0K x219x
Entropy (298.15K) entropy x189x
Entropy at any temperature   189  
Integrated Heat Capacity integrated heat capacity x188x
Heat Capacity (Cp) Heat capacity x188x
Nuclear Repulsion Energy   196  
HOMO-LUMO Energies HOMO energies   188  
Barriers to Internal Rotation internal rotation x14x
Geometries Cartesians x166  
Internal Coordinates bond lengths bond angles x166x
Products of moments of inertia moments of inertia x183x
Rotational Constants rotational constants x187x
Point Group  187 
Vibrations Vibrational Frequencies vibrations x186x
Vibrational Intensities  184 
Zero-point energies  186 
Vibrational scaling factors  
Anharmonic frequencies and constants   3  
Electronic States Electronic states x 0  
Electrostatics Atom charges   157  
Dipole dipole x155x
Quadrupole quadrupole x150x
Polarizability polarizability  134 
Other results Spin   0  
Number of basis functions   27  
Diagnostics   5  
Conformations   1