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

All data (experiment and calculated) in the CCCBDB for GeS2 (Germanium disulfide)

Other names
germanium disulphide;

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   332  
Energy 298.15K   10  
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   333  
HOMO-LUMO Energies HOMO energies   333  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  333  
Internal Coordinates bond lengths bond angles  333 
Products of moments of inertia moments of inertia  324 
Rotational Constants rotational constants  332 
Point Group  334 
Vibrations Vibrational Frequencies vibrations x332x
Vibrational Intensities  295 
Zero-point energies  332 
Vibrational scaling factors  
Anharmonic frequencies and constants      
Electronic States Electronic states   0  
Electrostatics Atom charges   194  
Dipole dipole  260 
Quadrupole quadrupole  232 
Polarizability polarizability  194 
Other results Spin   0  
Number of basis functions   29  
Diagnostics   0  
Conformations   1