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

All data (experiment and calculated) in the CCCBDB for Se2- (selenium dimer anion)

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 x    
Enthalpy 0K enthalpy of formation      
Energy 0K   225  
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   220  
HOMO-LUMO Energies HOMO energies   219  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  219  
Internal Coordinates bond lengths bond angles  219 
Products of moments of inertia moments of inertia  212 
Rotational Constants rotational constants  218 
Point Group  221 
Vibrations Vibrational Frequencies vibrations x218x
Vibrational Intensities  209 
Zero-point energies x218x
Vibrational scaling factors x
Anharmonic frequencies and constants      
Electronic States Electronic states x 0  
Electrostatics Atom charges   123  
Dipole dipole  134 
Quadrupole quadrupole  132 
Polarizability polarizability  135 
Other results Spin   218  
Number of basis functions   5  
Diagnostics   0  
Conformations   1