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

All data (experiment and calculated) in the CCCBDB for CH3OH2+ (Methanol, protonated)

INChI
InChI=1S/CH4O/c1-2/h2H,1H3/p+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   311  
Energy 298.15K   8  
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   310  
HOMO-LUMO Energies HOMO energies   310  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  309  
Internal Coordinates bond lengths bond angles  309 
Products of moments of inertia moments of inertia  302 
Rotational Constants rotational constants  308 
Point Group  311 
Vibrations Vibrational Frequencies vibrations  307 
Vibrational Intensities  282 
Zero-point energies  307 
Vibrational scaling factors  
Anharmonic frequencies and constants      
Electronic States Electronic states   0  
Electrostatics Atom charges   188  
Dipole dipole  260 
Quadrupole quadrupole  229 
Polarizability polarizability  192 
Other results Spin   0  
Number of basis functions   29  
Diagnostics   0  
Conformations   1