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

All data (experiment and calculated) in the CCCBDB for C(CN)4 (tetracyanomethane)

Other names

An "x" indicates that data is available. A number indicates how many calculations have been completed.
Property Experiment Calculated Comparison
Enthalpy 298.15K enthalpy of formation x    
Enthalpy 0K enthalpy of formation      
Energy 0K   350  
Energy 298.15K   10  
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   351  
HOMO-LUMO Energies HOMO energies   323  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians x350  
Internal Coordinates bond lengths bond angles x350x
Products of moments of inertia moments of inertia  342 
Rotational Constants rotational constants  350 
Point Group  352 
Vibrations Vibrational Frequencies vibrations  344 
Vibrational Intensities  322 
Zero-point energies  344 
Vibrational scaling factors  
Anharmonic frequencies and constants      
Electronic States Electronic states   0  
Electrostatics Atom charges   222  
Dipole dipole  272 
Quadrupole quadrupole  246 
Polarizability polarizability  223 
Other results Spin   0  
Number of basis functions   29  
Diagnostics   0  
Conformations   1