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

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

Other names
Difluorine monooxide; Difluorine monoxide; Fluorine monoxide; Fluorine oxide; Oxydifluoride; Oxygen difluoride; Oxygen fluoride; Oxygen fluoride (OF2); UN 2190; hypofluorous anhydride;
INChI
InChI=1/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   288  
Energy 298.15K   252  
Atomization Enthalpy 298.15K x245x
Atomization Enthalpy 0K x248x
Entropy (298.15K) entropy x210x
Entropy at any temperature   210  
Integrated Heat Capacity integrated heat capacity x210x
Heat Capacity (Cp) Heat capacity x210x
Nuclear Repulsion Energy   242  
HOMO-LUMO Energies HOMO energies   234  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians x198  
Internal Coordinates bond lengths bond angles x198x
Products of moments of inertia moments of inertia x217x
Rotational Constants rotational constants x222x
Point Group  223 
Vibrations Vibrational Frequencies vibrations x220x
Vibrational Intensities  210 
Zero-point energies x220x
Vibrational scaling factors x
Anharmonic frequencies and constants   2  
Electronic States Electronic states x 0  
Electrostatics Atom charges   179  
Dipole dipole x173x
Quadrupole quadrupole x109x
Polarizability polarizability  148 
Other results Spin   0  
Number of basis functions   6  
Diagnostics   5  
Conformations   1