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

All data (experiment and calculated) in the CCCBDB for H2CO- (formaldehyde anion)

INChI
InChI=1S/CH2O/c1-2/h1H2/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   196  
Energy 298.15K   11  
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   193  
HOMO-LUMO Energies HOMO energies   161  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  190  
Internal Coordinates bond lengths bond angles  190 
Products of moments of inertia moments of inertia  180 
Rotational Constants rotational constants  188 
Point Group  194 
Vibrations Vibrational Frequencies vibrations  188 
Vibrational Intensities  187 
Zero-point energies  188 
Vibrational scaling factors  
Anharmonic frequencies and constants      
Electronic States Electronic states   0  
Electrostatics Atom charges   97  
Dipole dipole  105 
Quadrupole quadrupole  101 
Polarizability polarizability  104 
Other results Spin   187  
Number of basis functions   55  
Diagnostics   0  
Conformations   1