return to home page Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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All data (experiment and calculated) in the CCCBDB for GeCl2 (Germanium dichloride)

1907021335
INChI
InChI=1S/Cl2Ge/c1-3-2

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 x    
Enthalpy 0K enthalpy of formation x    
Energy 0K   658  
Energy 298.15K   244  
Atomization Enthalpy 298.15K  0 
Atomization Enthalpy 0K  0 
Entropy (298.15K) entropy x0x
Entropy at any temperature   0  
Integrated Heat Capacity integrated heat capacity x0x
Heat Capacity (Cp) Heat capacity x0x
Nuclear Repulsion Energy   659  
HOMO-LUMO Energies HOMO energies   608  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians x659  
Internal Coordinates bond lengths bond angles x659x
Products of moments of inertia moments of inertia  651 
Rotational Constants rotational constants  659 
Point Group  660 
Vibrations Vibrational Frequencies vibrations fun. 655x
Vibrational Intensities  617 
Zero-point energies x655x
Vibrational scaling factors x
Anharmonic frequencies and constants      
Raman frequencies and intensities   279  
Electronic States Electronic states x 0  
Electrostatics Atom charges   387  
Dipole dipole  497 
Quadrupole quadrupole  401 
Polarizability polarizability  458 
Other results Spin   0  
Number of basis functions   35  
Conformations   1