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

All data (experiment and calculated) in the CCCBDB for CH4+ (Methane cation)


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      
Enthalpy 0K enthalpy of formation      
Energy 0K   687  
Energy 298.15K   23  
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   686  
HOMO-LUMO Energies HOMO energies   685  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  682  
Internal Coordinates bond lengths bond angles  0 
Products of moments of inertia moments of inertia  652 
Rotational Constants rotational constants  670 
Point Group  687 
Vibrations Vibrational Frequencies vibrations  499 
Vibrational Intensities  465 
Zero-point energies  499 
Vibrational scaling factors  
Anharmonic frequencies and constants      
Electronic States Electronic states   0  
Electrostatics Atom charges   253  
Dipole dipole  394 
Quadrupole quadrupole  389 
Polarizability polarizability  395 
Other results Spin   672  
Number of basis functions   9  
Diagnostics   0  
Conformations   3 x