return to home page Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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All data (experiment and calculated) in the CCCBDB for HSe- (selenium monohydride anion)

1907021335
INChI
InChI=1S/H2Se/h1H2/p-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   677  
Energy 298.15K   32  
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   673  
HOMO-LUMO Energies HOMO energies   591  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  672  
Internal Coordinates bond lengths bond angles  672 
Products of moments of inertia moments of inertia  663 
Rotational Constants rotational constants  672 
Point Group  674 
Vibrations Vibrational Frequencies vibrations  670 
Vibrational Intensities  810 
Zero-point energies  670 
Vibrational scaling factors  
Anharmonic frequencies and constants      
Raman frequencies and intensities   305  
Electronic States Electronic states x 0  
Electrostatics Atom charges   375  
Dipole dipole  491 
Quadrupole quadrupole  398 
Polarizability polarizability  439 
Other results Spin   8  
Number of basis functions   108  
Conformations   1