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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   214  
Energy 298.15K   7  
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   209  
HOMO-LUMO Energies HOMO energies   208  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  208  
Internal Coordinates bond lengths bond angles  208 
Products of moments of inertia moments of inertia  204 
Rotational Constants rotational constants  208 
Point Group  210 
Vibrations Vibrational Frequencies vibrations x208x
Vibrational Intensities  199 
Zero-point energies x208x
Vibrational scaling factors x
Anharmonic frequencies and constants      
Electronic States Electronic states x 0  
Electrostatics Atom charges   125  
Dipole dipole  129 
Quadrupole quadrupole  129 
Polarizability polarizability  129 
Other results Spin   207  
Number of basis functions   26  
Diagnostics   0  
Conformations   1