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

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

INChI
InChI=1S/CH4/h1H4/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   669  
Energy 298.15K   21  
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   668  
HOMO-LUMO Energies HOMO energies   667  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  664  
Internal Coordinates bond lengths bond angles  0 
Products of moments of inertia moments of inertia  636 
Rotational Constants rotational constants  652 
Point Group  669 
Vibrations Vibrational Frequencies vibrations  481 
Vibrational Intensities  447 
Zero-point energies  481 
Vibrational scaling factors  
Anharmonic frequencies and constants      
Electronic States Electronic states   0  
Electrostatics Atom charges   255  
Dipole dipole  385 
Quadrupole quadrupole  385 
Polarizability polarizability  385 
Other results Spin   652  
Number of basis functions   34  
Diagnostics   0  
Conformations   3 x