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

All data (experiment and calculated) in the CCCBDB for PF (phosphorus monofluoride)

Other names
Phosphorus fluoride; Phosphorus monofluoride;
INChI
InChI=1/FP/c1-2

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   504  
Energy 298.15K   259  
Atomization Enthalpy 298.15K x250x
Atomization Enthalpy 0K x441x
Entropy (298.15K) entropy x232x
Entropy at any temperature   232  
Integrated Heat Capacity integrated heat capacity x232x
Heat Capacity (Cp) Heat capacity x232x
Nuclear Repulsion Energy   466  
HOMO-LUMO Energies HOMO energies   444  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians x440  
Internal Coordinates bond lengths bond angles x440x
Products of moments of inertia moments of inertia x437x
Rotational Constants rotational constants x448x
Point Group  450 
Vibrations Vibrational Frequencies vibrations x446x
Vibrational Intensities  411 
Zero-point energies x446x
Vibrational scaling factors x
Anharmonic frequencies and constants      
Electronic States Electronic states x 233  
Electrostatics Atom charges   299  
Dipole dipole  285 
Quadrupole quadrupole  285 
Polarizability polarizability  271 
Other results Spin   172  
Number of basis functions   33  
Diagnostics   6  
Conformations   1