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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   246  
Energy 298.15K   7  
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   245  
HOMO-LUMO Energies HOMO energies   232  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  232  
Internal Coordinates bond lengths bond angles  232 
Products of moments of inertia moments of inertia  160 
Rotational Constants rotational constants  165 
Point Group  246 
Vibrations Vibrational Frequencies vibrations  165 
Vibrational Intensities  141 
Zero-point energies  165 
Vibrational scaling factors  
Anharmonic frequencies and constants      
Electronic States Electronic states   0  
Electrostatics Atom charges   135  
Dipole dipole  135 
Quadrupole quadrupole  135 
Polarizability polarizability  69 
Other results Spin   244  
Number of basis functions   26  
Diagnostics   0  
Conformations   1