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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   187  
Energy 298.15K   10  
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   184  
HOMO-LUMO Energies HOMO energies   152  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  181  
Internal Coordinates bond lengths bond angles  181 
Products of moments of inertia moments of inertia  172 
Rotational Constants rotational constants  179 
Point Group  185 
Vibrations Vibrational Frequencies vibrations  179 
Vibrational Intensities  178 
Zero-point energies  179 
Vibrational scaling factors  
Anharmonic frequencies and constants      
Electronic States Electronic states   0  
Electrostatics Atom charges   97  
Dipole dipole  100 
Quadrupole quadrupole  99 
Polarizability polarizability  99 
Other results Spin   178  
Number of basis functions   36  
Diagnostics   0  
Conformations   1