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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   257  
Energy 298.15K   225  
Atomization Enthalpy 298.15K x218x
Atomization Enthalpy 0K x219x
Entropy (298.15K) entropy x188x
Entropy at any temperature   188  
Integrated Heat Capacity integrated heat capacity x188x
Heat Capacity (Cp) Heat capacity x188x
Nuclear Repulsion Energy   217  
HOMO-LUMO Energies HOMO energies   210  
Barriers to Internal Rotation internal rotation x14x
Geometries Cartesians x186  
Internal Coordinates bond lengths bond angles x186x
Products of moments of inertia moments of inertia x203x
Rotational Constants rotational constants x208x
Point Group  208 
Vibrations Vibrational Frequencies vibrations x206x
Vibrational Intensities  204 
Zero-point energies  206 
Vibrational scaling factors  
Anharmonic frequencies and constants   2  
Electronic States Electronic states x 0  
Electrostatics Atom charges   167  
Dipole dipole x170x
Quadrupole quadrupole x163x
Polarizability polarizability  144 
Other results Spin   0  
Number of basis functions   6  
Diagnostics   5  
Conformations   1