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

All data (experiment and calculated) in the CCCBDB for CH2OOH (CH2OOH)

INChI
InChI=1S/CH3O2/c1-3-2/h2H,1H2

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   255  
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   254  
HOMO-LUMO Energies HOMO energies   241  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  241  
Internal Coordinates bond lengths bond angles  241 
Products of moments of inertia moments of inertia  167 
Rotational Constants rotational constants  173 
Point Group  255 
Vibrations Vibrational Frequencies vibrations  172 
Vibrational Intensities  148 
Zero-point energies  172 
Vibrational scaling factors  
Anharmonic frequencies and constants      
Electronic States Electronic states   0  
Electrostatics Atom charges   140  
Dipole dipole  140 
Quadrupole quadrupole  137 
Polarizability polarizability  73 
Other results Spin   253  
Number of basis functions   27  
Diagnostics   0  
Conformations   1