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

All data (experiment and calculated) in the CCCBDB for H2CO+ (formaldehyde cation)

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   233  
Energy 298.15K   24  
Atomization Enthalpy 298.15K  0 
Atomization Enthalpy 0K  0 
Entropy (298.15K) entropy  13 
Entropy at any temperature   13  
Integrated Heat Capacity integrated heat capacity  13 
Heat Capacity (Cp) Heat capacity  13 
Nuclear Repulsion Energy   228  
HOMO-LUMO Energies HOMO energies   226  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  212  
Internal Coordinates bond lengths bond angles  212 
Products of moments of inertia moments of inertia x217x
Rotational Constants rotational constants x224x
Point Group  229 
Vibrations Vibrational Frequencies vibrations x224x
Vibrational Intensities  215 
Zero-point energies x224x
Vibrational scaling factors x
Anharmonic frequencies and constants      
Electronic States Electronic states x 0  
Electrostatics Atom charges   128  
Dipole dipole  133 
Quadrupole quadrupole  133 
Polarizability polarizability  134 
Other results Spin   212  
Number of basis functions   36  
Diagnostics   1  
Conformations   1