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

All data (experiment and calculated) in the CCCBDB for CH2- (methylene anion)

INChI
InChI=1S/CH2/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   236  
Energy 298.15K   10  
Atomization Enthalpy 298.15K  5 
Atomization Enthalpy 0K  205 
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   231  
HOMO-LUMO Energies HOMO energies   231  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  218  
Internal Coordinates bond lengths bond angles x218x
Products of moments of inertia moments of inertia  224 
Rotational Constants rotational constants  231 
Point Group  232 
Vibrations Vibrational Frequencies vibrations  232 
Vibrational Intensities  210 
Zero-point energies  232 
Vibrational scaling factors  
Anharmonic frequencies and constants      
Electronic States Electronic states x 0  
Electrostatics Atom charges   122  
Dipole dipole  127 
Quadrupole quadrupole  127 
Polarizability polarizability  128 
Other results Spin   228  
Number of basis functions   35  
Diagnostics   1  
Conformations   1