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

All data (experiment and calculated) in the CCCBDB for ZnH (Zinc monohydride)

INChI
InChI=1S/Zn.H

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   200  
Energy 298.15K   7  
Atomization Enthalpy 298.15K  6 
Atomization Enthalpy 0K  156 
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   198  
HOMO-LUMO Energies HOMO energies   198  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians x198  
Internal Coordinates bond lengths bond angles x198x
Products of moments of inertia moments of inertia x192x
Rotational Constants rotational constants x197x
Point Group  199 
Vibrations Vibrational Frequencies vibrations x197x
Vibrational Intensities  179 
Zero-point energies x197x
Vibrational scaling factors x
Anharmonic frequencies and constants      
Electronic States Electronic states x 0  
Electrostatics Atom charges   118  
Dipole dipole  117 
Quadrupole quadrupole  115 
Polarizability polarizability  105 
Other results Spin   196  
Number of basis functions   3  
Diagnostics   0  
Conformations   1