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

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

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   173  
Energy 298.15K   7  
Atomization Enthalpy 298.15K  6 
Atomization Enthalpy 0K  151 
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   171  
HOMO-LUMO Energies HOMO energies   171  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians x171  
Internal Coordinates bond lengths bond angles x171x
Products of moments of inertia moments of inertia x165x
Rotational Constants rotational constants x170x
Point Group  173 
Vibrations Vibrational Frequencies vibrations  170 
Vibrational Intensities  163 
Zero-point energies x170x
Vibrational scaling factors x
Anharmonic frequencies and constants      
Electronic States Electronic states x 0  
Electrostatics Atom charges   104  
Dipole dipole  103 
Quadrupole quadrupole  101 
Polarizability polarizability  105 
Other results Spin   0  
Number of basis functions   3  
Diagnostics   0  
Conformations   2 x