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

All data (experiment and calculated) in the CCCBDB for FCN (Cyanogen fluoride)

INChI
InChI=1/CFN/c2-1-3

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   249  
Energy 298.15K   223  
Atomization Enthalpy 298.15K x207x
Atomization Enthalpy 0K x205x
Entropy (298.15K) entropy x183x
Entropy at any temperature   183  
Integrated Heat Capacity integrated heat capacity x183x
Heat Capacity (Cp) Heat capacity x183x
Nuclear Repulsion Energy   220  
HOMO-LUMO Energies HOMO energies   219  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians x209  
Internal Coordinates bond lengths bond angles x208x
Products of moments of inertia moments of inertia x214x
Rotational Constants rotational constants x220x
Point Group  222 
Vibrations Vibrational Frequencies vibrations x222x
Vibrational Intensities  212 
Zero-point energies x222x
Vibrational scaling factors x
Anharmonic frequencies and constants      
Electronic States Electronic states x 0  
Electrostatics Atom charges   206  
Dipole dipole x140x
Quadrupole quadrupole  136 
Polarizability polarizability  138 
Other results Spin   0  
Number of basis functions   4  
Diagnostics   5  
Conformations   1