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

All data (experiment and calculated) in the CCCBDB for NF3- (Nitrogen trifluoride anion)

INChI
InChI=1S/F3N/c1-4(2)3/q-1

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   514  
Energy 298.15K   12  
Atomization Enthalpy 298.15K  0 
Atomization Enthalpy 0K  0 
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   510  
HOMO-LUMO Energies HOMO energies   293  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  502  
Internal Coordinates bond lengths bond angles  502 
Products of moments of inertia moments of inertia  450 
Rotational Constants rotational constants  459 
Point Group  511 
Vibrations Vibrational Frequencies vibrations  476 
Vibrational Intensities  426 
Zero-point energies  476 
Vibrational scaling factors  
Anharmonic frequencies and constants      
Electronic States Electronic states   0  
Electrostatics Atom charges   285  
Dipole dipole  292 
Quadrupole quadrupole  292 
Polarizability polarizability  230 
Other results Spin   495  
Number of basis functions   33  
Diagnostics   0  
Conformations   2 x