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

All data (experiment and calculated) in the CCCBDB for GeCl (Germanium monochloride)


An "x" indicates that data is available. A number indicates how many calculations have been completed.
Property Experiment Calculated Comparison
Enthalpy 298.15K enthalpy of formation      
Enthalpy 0K enthalpy of formation      
Energy 0K   301  
Energy 298.15K   3  
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   302  
HOMO-LUMO Energies HOMO energies   302  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians x302  
Internal Coordinates bond lengths bond angles x302x
Products of moments of inertia moments of inertia x298x
Rotational Constants rotational constants x302x
Point Group  303 
Vibrations Vibrational Frequencies vibrations x301x
Vibrational Intensities  267 
Zero-point energies x301x
Vibrational scaling factors x
Anharmonic frequencies and constants      
Electronic States Electronic states x 0  
Electrostatics Atom charges   195  
Dipole dipole  247 
Quadrupole quadrupole  216 
Polarizability polarizability  158 
Other results Spin   302  
Number of basis functions   23  
Diagnostics   0  
Conformations   1