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

All data (experiment and calculated) in the CCCBDB for HCO3- (bicarbonate anion)

INChI
InChI=1S/CH2O3/c2-1(3)4/h(H2,2,3,4)/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   243  
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   237  
HOMO-LUMO Energies HOMO energies   237  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  237  
Internal Coordinates bond lengths bond angles  237 
Products of moments of inertia moments of inertia  230 
Rotational Constants rotational constants  237 
Point Group  238 
Vibrations Vibrational Frequencies vibrations  237 
Vibrational Intensities  224 
Zero-point energies  237 
Vibrational scaling factors  
Anharmonic frequencies and constants      
Electronic States Electronic states   0  
Electrostatics Atom charges   118  
Dipole dipole  129 
Quadrupole quadrupole  128 
Polarizability polarizability  131 
Other results Spin   0  
Number of basis functions   3  
Diagnostics   0  
Conformations   2 x