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

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


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   259  
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   254  
HOMO-LUMO Energies HOMO energies   254  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  253  
Internal Coordinates bond lengths bond angles  253 
Products of moments of inertia moments of inertia  247 
Rotational Constants rotational constants  254 
Point Group  255 
Vibrations Vibrational Frequencies vibrations x253x
Vibrational Intensities  227 
Zero-point energies  253 
Vibrational scaling factors  
Anharmonic frequencies and constants      
Electronic States Electronic states   0  
Electrostatics Atom charges   138  
Dipole dipole  150 
Quadrupole quadrupole  148 
Polarizability polarizability  136 
Other results Spin   243  
Number of basis functions   6  
Diagnostics   0  
Conformations   1