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All data (experiment and calculated) in the CCCBDB for F2O (Difluorine monoxide)

1907021335
Other names
Difluorine monooxide; Difluorine monoxide; Fluorine monoxide; Fluorine oxide; Oxydifluoride; Oxygen difluoride; Oxygen fluoride; Oxygen fluoride (OF2); hypofluorous anhydride;
INChI
InChI=1S/F2O/c1-3-2

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   330  
Energy 298.15K   320  
Atomization Enthalpy 298.15K x229x
Atomization Enthalpy 0K x230x
Entropy (298.15K) entropy x195x
Entropy at any temperature   195  
Integrated Heat Capacity integrated heat capacity x195x
Heat Capacity (Cp) Heat capacity x195x
Nuclear Repulsion Energy   277  
HOMO-LUMO Energies HOMO energies   276  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians x238  
Internal Coordinates bond lengths bond angles x237x
Products of moments of inertia moments of inertia x259x
Rotational Constants rotational constants x264x
Point Group  265 
Vibrations Vibrational Frequencies vibrations fun. 260x
Vibrational Intensities  273 
Zero-point energies x260x
Vibrational scaling factors x
Anharmonic frequencies and constants   1  
Raman frequencies and intensities   5  
Electronic States Electronic states x 0  
Electrostatics Atom charges   210  
Dipole dipole x224x
Quadrupole quadrupole x151x
Polarizability polarizability  189 
Other results Spin   0  
Number of basis functions   6  
Conformations   1