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

All data (experiment and calculated) in the CCCBDB for HCCF+ (fluoroacetylene cation)

INChI
InChI=1S/C2HF/c1-2-3/h1H/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   248  
Energy 298.15K   9  
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   248  
HOMO-LUMO Energies HOMO energies   248  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  248  
Internal Coordinates bond lengths bond angles  248 
Products of moments of inertia moments of inertia  240 
Rotational Constants rotational constants  247 
Point Group  249 
Vibrations Vibrational Frequencies vibrations  247 
Vibrational Intensities  221 
Zero-point energies  247 
Vibrational scaling factors  
Anharmonic frequencies and constants      
Electronic States Electronic states   0  
Electrostatics Atom charges   142  
Dipole dipole  199 
Quadrupole quadrupole  176 
Polarizability polarizability  132 
Other results Spin   246  
Number of basis functions   31  
Diagnostics   0  
Conformations   1