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

All data (experiment and calculated) in the CCCBDB for CH3+ (methyl cation)

INChI
InChI=1S/CH3/h1H3/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   64  
Energy 298.15K   54  
Atomization Enthalpy 298.15K  31 
Atomization Enthalpy 0K  31 
Entropy (298.15K) entropy  44 
Entropy at any temperature   44  
Integrated Heat Capacity integrated heat capacity  44 
Heat Capacity (Cp) Heat capacity  44 
Nuclear Repulsion Energy   59  
HOMO-LUMO Energies HOMO energies   59  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  51  
Internal Coordinates bond lengths bond angles  51 
Products of moments of inertia moments of inertia  58 
Rotational Constants rotational constants  59 
Point Group  60 
Vibrations Vibrational Frequencies vibrations  60 
Vibrational Intensities  53 
Zero-point energies  60 
Vibrational scaling factors  
Anharmonic frequencies and constants      
Electronic States Electronic states x 0  
Electrostatics Atom charges   38  
Dipole dipole  39 
Quadrupole quadrupole  39 
Polarizability polarizability  39 
Other results Spin   0  
Number of basis functions   32  
Diagnostics   1  
Conformations   1