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All data (experiment and calculated) in the CCCBDB for ZnH2 (Zinc hydride)

1907021335
INChI
InChI=1S/Zn.2H

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   221  
Energy 298.15K   202  
Atomization Enthalpy 298.15K  3 
Atomization Enthalpy 0K  144 
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   212  
HOMO-LUMO Energies HOMO energies   213  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians x216  
Internal Coordinates bond lengths bond angles x216x
Products of moments of inertia moments of inertia x208x
Rotational Constants rotational constants x211x
Point Group  220 
Vibrations Vibrational Frequencies vibrations fun. 211x
Vibrational Intensities  211 
Zero-point energies  211 
Vibrational scaling factors  
Anharmonic frequencies and constants      
Raman frequencies and intensities   5  
Electronic States Electronic states x 0  
Electrostatics Atom charges   149  
Dipole dipole  152 
Quadrupole quadrupole  147 
Polarizability polarizability  151 
Other results Spin   0  
Number of basis functions   5  
Conformations   2 x