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

All data (experiment and calculated) in the CCCBDB for Se2+ (selenium dimer cation)

INChI
InChI=1S/Se2/c1-2/q+1

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   223  
Energy 298.15K   9  
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   217  
HOMO-LUMO Energies HOMO energies   216  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  216  
Internal Coordinates bond lengths bond angles  216 
Products of moments of inertia moments of inertia  209 
Rotational Constants rotational constants  215 
Point Group  218 
Vibrations Vibrational Frequencies vibrations  215 
Vibrational Intensities  206 
Zero-point energies  215 
Vibrational scaling factors  
Anharmonic frequencies and constants      
Electronic States Electronic states x 0  
Electrostatics Atom charges   120  
Dipole dipole  131 
Quadrupole quadrupole  129 
Polarizability polarizability  133 
Other results Spin   216  
Number of basis functions   5  
Diagnostics   0  
Conformations   1