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

All data (experiment and calculated) in the CCCBDB for CF2O (Carbonic difluoride)

Other names
Carbon difluoride oxide; Carbon fluoride oxide; Carbon fluoride oxide (COF2); Carbon oxyfluoride; Carbonic difluoride; Carbonyl difluoride; Carbonyl fluoride; Difluoroformaldehyde; Difluorooxomethane; Difluorophosgene; Fluophosgene; Fluoroformyl fluoride; Fluorophosgene; Rcra waste number U033; UN 2417;
INChI
InChI=1/CF2O/c2-1(3)4

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   269  
Energy 298.15K   235  
Atomization Enthalpy 298.15K x228x
Atomization Enthalpy 0K x230x
Entropy (298.15K) entropy x196x
Entropy at any temperature   196  
Integrated Heat Capacity integrated heat capacity x196x
Heat Capacity (Cp) Heat capacity x196x
Nuclear Repulsion Energy   224  
HOMO-LUMO Energies HOMO energies   216  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians x193  
Internal Coordinates bond lengths bond angles x193x
Products of moments of inertia moments of inertia x211x
Rotational Constants rotational constants x216x
Point Group  216 
Vibrations Vibrational Frequencies vibrations x214x
Vibrational Intensities x206x
Zero-point energies x214x
Vibrational scaling factors x
Anharmonic frequencies and constants   2  
Electronic States Electronic states x 0  
Electrostatics Atom charges   167  
Dipole dipole x170x
Quadrupole quadrupole x107x
Polarizability polarizability  144 
Other results Spin   0  
Number of basis functions   6  
Diagnostics   5  
Conformations   1