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

All data (experiment and calculated) in the CCCBDB for CH2OH+ (hydroxymethyl cation)

INChI
InChI=1S/CH3O/c1-2/h2H,1H2/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   236  
Energy 298.15K   224  
Atomization Enthalpy 298.15K  0 
Atomization Enthalpy 0K  0 
Entropy (298.15K) entropy  204 
Entropy at any temperature   204  
Integrated Heat Capacity integrated heat capacity  204 
Heat Capacity (Cp) Heat capacity  204 
Nuclear Repulsion Energy   229  
HOMO-LUMO Energies HOMO energies   229  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  215  
Internal Coordinates bond lengths bond angles  215 
Products of moments of inertia moments of inertia  222 
Rotational Constants rotational constants  229 
Point Group  230 
Vibrations Vibrational Frequencies vibrations  229 
Vibrational Intensities  212 
Zero-point energies  229 
Vibrational scaling factors  
Anharmonic frequencies and constants      
Electronic States Electronic states x 0  
Electrostatics Atom charges   128  
Dipole dipole  133 
Quadrupole quadrupole  133 
Polarizability polarizability  134 
Other results Spin   25  
Number of basis functions   32  
Diagnostics   1  
Conformations   1