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

All data (experiment and calculated) in the CCCBDB for ZnCH2 (Zinc methylene)

INChI
InChI=1S/CH2.Zn/h1H2;

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   522  
Energy 298.15K   21  
Atomization Enthalpy 298.15K  18 
Atomization Enthalpy 0K  444 
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   522  
HOMO-LUMO Energies HOMO energies   520  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  520  
Internal Coordinates bond lengths bond angles  520 
Products of moments of inertia moments of inertia  505 
Rotational Constants rotational constants  520 
Point Group  523 
Vibrations Vibrational Frequencies vibrations x511x
Vibrational Intensities  473 
Zero-point energies x511x
Vibrational scaling factors x
Anharmonic frequencies and constants      
Electronic States Electronic states x 335  
Electrostatics Atom charges   307  
Dipole dipole  307 
Quadrupole quadrupole  307 
Polarizability polarizability  272 
Other results Spin   186  
Number of basis functions   20  
Diagnostics   0  
Conformations   2 x