return to home page

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

All data (experiment and calculated) in the CCCBDB for F3NO (Nitrogen trifluoride oxide)

Other names
AMOX; Nitrogen fluoride oxide; Nitrogen Fluoride oxide (F3NO); Nitrogen fluoride oxide (NF3O); Nitrogen trifluoride oxide; Trifluoramine oxide; Trifluoroamine oxide;

An "x" indicates that data is available. A number indicates how many calculations have been completed.
Property Experiment Calculated Comparison
Enthalpy 298.15K enthalpy of formation x    
Enthalpy 0K enthalpy of formation x    
Energy 0K   220  
Energy 298.15K   189  
Atomization Enthalpy 298.15K x186x
Atomization Enthalpy 0K x191x
Entropy (298.15K) entropy x174x
Entropy at any temperature   174  
Integrated Heat Capacity integrated heat capacity x174x
Heat Capacity (Cp) Heat capacity x174x
Nuclear Repulsion Energy   197  
HOMO-LUMO Energies HOMO energies   189  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians x171  
Internal Coordinates bond lengths bond angles x171x
Products of moments of inertia moments of inertia  187 
Rotational Constants rotational constants  192 
Point Group  192 
Vibrations Vibrational Frequencies vibrations  191 
Vibrational Intensities  189 
Zero-point energies  191 
Vibrational scaling factors  
Anharmonic frequencies and constants   2  
Electronic States Electronic states x 0  
Electrostatics Atom charges   160  
Dipole dipole  160 
Quadrupole quadrupole  100 
Polarizability polarizability  138 
Other results Spin   0  
Number of basis functions   6  
Diagnostics   4  
Conformations   1