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

1907021335
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   635  
Energy 298.15K   509  
Atomization Enthalpy 298.15K  15 
Atomization Enthalpy 0K  432 
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   626  
HOMO-LUMO Energies HOMO energies   633  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  633  
Internal Coordinates bond lengths bond angles  630 
Products of moments of inertia moments of inertia  618 
Rotational Constants rotational constants  633 
Point Group  638 
Vibrations Vibrational Frequencies vibrations fun. 612x
Vibrational Intensities  591 
Zero-point energies x612x
Vibrational scaling factors x
Anharmonic frequencies and constants      
Raman frequencies and intensities   15  
Electronic States Electronic states x 411  
Electrostatics Atom charges   405  
Dipole dipole  412 
Quadrupole quadrupole  400 
Polarizability polarizability  377 
Other results Spin   223  
Number of basis functions   5  
Conformations   2 x