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All data (experiment and calculated) in the CCCBDB for TiH (Titanium monohydride)

1907021335
INChI
InChI=1S/Ti.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   456  
Energy 298.15K   443  
Atomization Enthalpy 298.15K  0 
Atomization Enthalpy 0K  0 
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   452  
HOMO-LUMO Energies HOMO energies   387  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians x452  
Internal Coordinates bond lengths bond angles x452x
Products of moments of inertia moments of inertia x448x
Rotational Constants rotational constants x451x
Point Group  456 
Vibrations Vibrational Frequencies vibrations fun. 449x
Vibrational Intensities  385 
Zero-point energies x449x
Vibrational scaling factors x
Anharmonic frequencies and constants      
Raman frequencies and intensities   5  
Electronic States Electronic states x 0  
Electrostatics Atom charges   28  
Dipole dipole  350 
Quadrupole quadrupole  294 
Polarizability polarizability  261 
Other results Spin   455  
Number of basis functions   24  
Conformations   1