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

All data (experiment and calculated) in the CCCBDB for FNO (Nitrosyl fluoride)

Other names
Nitrogen oxide fluoride; Nitrogen oxyfluoride; Nitrosyl fluoride;

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   305  
Energy 298.15K   269  
Atomization Enthalpy 298.15K x260x
Atomization Enthalpy 0K x263x
Entropy (298.15K) entropy x226x
Entropy at any temperature   226  
Integrated Heat Capacity integrated heat capacity x226x
Heat Capacity (Cp) Heat capacity x224x
Nuclear Repulsion Energy   259  
HOMO-LUMO Energies HOMO energies   244  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians x214  
Internal Coordinates bond lengths bond angles x214x
Products of moments of inertia moments of inertia x232x
Rotational Constants rotational constants x237x
Point Group  240 
Vibrations Vibrational Frequencies vibrations x240x
Vibrational Intensities  223 
Zero-point energies x240x
Vibrational scaling factors x
Anharmonic frequencies and constants   2  
Electronic States Electronic states x 0  
Electrostatics Atom charges   180  
Dipole dipole x176x
Quadrupole quadrupole  112 
Polarizability polarizability  149 
Other results Spin   0  
Number of basis functions   6  
Diagnostics   5  
Conformations   1