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All data (experiment and calculated) in the CCCBDB for CF2 (Difluoromethylene)

1907021335
Other names
Difluoromethylene;
INChI
InChI=1S/CF2/c2-1-3

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   1146  
Energy 298.15K   992  
Atomization Enthalpy 298.15K x57x
Atomization Enthalpy 0K x57x
Entropy (298.15K) entropy x27x
Entropy at any temperature   27  
Integrated Heat Capacity integrated heat capacity x27x
Heat Capacity (Cp) Heat capacity x27x
Nuclear Repulsion Energy   1108  
HOMO-LUMO Energies HOMO energies   982  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians x1067  
Internal Coordinates bond lengths bond angles x1067x
Products of moments of inertia moments of inertia x1069x
Rotational Constants rotational constants x1082x
Point Group  1103 
Vibrations Vibrational Frequencies vibrations fun. 1094x
Vibrational Intensities  1205 
Zero-point energies x1094x
Vibrational scaling factors x
Anharmonic frequencies and constants   1  
Raman frequencies and intensities   350  
Electronic States Electronic states x 302  
Electrostatics Atom charges   606  
Dipole dipole x772x
Quadrupole quadrupole  663 
Polarizability polarizability  663 
Other results Spin   302  
Number of basis functions   105  
Conformations   1