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

All data (experiment and calculated) in the CCCBDB for NH2F (monofluoroamine)

Other names
Monofluoroammonia; Fluoroamine;
INChI
InChI=1S/FH2N/c1-2/h2H2

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      
Enthalpy 0K enthalpy of formation      
Energy 0K   244  
Energy 298.15K   11  
Atomization Enthalpy 298.15K  8 
Atomization Enthalpy 0K  188 
Entropy (298.15K) entropy  0 
Entropy at any temperature   0  
Integrated Heat Capacity integrated heat capacity  0 
Heat Capacity (Cp) Heat capacity  0 
Nuclear Repulsion Energy   239  
HOMO-LUMO Energies HOMO energies   237  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  237  
Internal Coordinates bond lengths bond angles  237 
Products of moments of inertia moments of inertia  225 
Rotational Constants rotational constants  233 
Point Group  240 
Vibrations Vibrational Frequencies vibrations x246x
Vibrational Intensities  231 
Zero-point energies  246 
Vibrational scaling factors  
Anharmonic frequencies and constants      
Electronic States Electronic states   0  
Electrostatics Atom charges   140  
Dipole dipole  139 
Quadrupole quadrupole  137 
Polarizability polarizability  139 
Other results Spin   0  
Number of basis functions   4  
Diagnostics   0  
Conformations   1