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

All data (experiment and calculated) in the CCCBDB for H2Se (Hydrogen selenide)

INChI
InChI=1/H2Se/h1H2

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      
Energy 0K   243  
Energy 298.15K   205  
Atomization Enthalpy 298.15K x200x
Atomization Enthalpy 0K  204 
Entropy (298.15K) entropy x181x
Entropy at any temperature   181  
Integrated Heat Capacity integrated heat capacity  181 
Heat Capacity (Cp) Heat capacity x181x
Nuclear Repulsion Energy   218  
HOMO-LUMO Energies HOMO energies   217  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians x217  
Internal Coordinates bond lengths bond angles x217x
Products of moments of inertia moments of inertia x214x
Rotational Constants rotational constants x219x
Point Group  220 
Vibrations Vibrational Frequencies vibrations x217x
Vibrational Intensities  203 
Zero-point energies x217x
Vibrational scaling factors x
Anharmonic frequencies and constants   2  
Electronic States Electronic states x 0  
Electrostatics Atom charges   164  
Dipole dipole x168x
Quadrupole quadrupole  165 
Polarizability polarizability  163 
Other results Spin   9  
Number of basis functions   6  
Diagnostics   5  
Conformations   1