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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   267  
Energy 298.15K   251  
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   221  
HOMO-LUMO Energies HOMO energies   212  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians x178  
Internal Coordinates bond lengths bond angles x178x
Products of moments of inertia moments of inertia x197x
Rotational Constants rotational constants x201x
Point Group  202 
Vibrations Vibrational Frequencies vibrations x201x
Vibrational Intensities  191 
Zero-point energies x201x
Vibrational scaling factors x
Anharmonic frequencies and constants   4  
Electronic States Electronic states x 0  
Electrostatics Atom charges   169  
Dipole dipole x158x
Quadrupole quadrupole x96x
Polarizability polarizability  138 
Other results Spin   0  
Number of basis functions   28  
Diagnostics   5  
Conformations   1