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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   246  
Energy 298.15K   225  
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   239  
HOMO-LUMO Energies HOMO energies   239  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  225  
Internal Coordinates bond lengths bond angles  225 
Products of moments of inertia moments of inertia  231 
Rotational Constants rotational constants  239 
Point Group  240 
Vibrations Vibrational Frequencies vibrations  238 
Vibrational Intensities  221 
Zero-point energies  238 
Vibrational scaling factors  
Anharmonic frequencies and constants      
Electronic States Electronic states x 0  
Electrostatics Atom charges   126  
Dipole dipole  138 
Quadrupole quadrupole  136 
Polarizability polarizability  140 
Other results Spin   23  
Number of basis functions   7  
Diagnostics   1  
Conformations   1