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All data (experiment and calculated) in the CCCBDB for CrH (Chromium hydride)

1907021335
Other names
Chromium monohydride;
INChI
InChI=1S/Cr.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   448  
Energy 298.15K   429  
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   428  
HOMO-LUMO Energies HOMO energies   415  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians x449  
Internal Coordinates bond lengths bond angles x449x
Products of moments of inertia moments of inertia x444x
Rotational Constants rotational constants x449x
Point Group  451 
Vibrations Vibrational Frequencies vibrations fun. har.449x
Vibrational Intensities  420 
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   323  
Dipole dipole  384 
Quadrupole quadrupole  318 
Polarizability polarizability  325 
Other results Spin   449  
Number of basis functions   43  
Conformations   1