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II.A.1. (XV.A.)

Listing of experimental data for HSe- (selenium monohydride anion)

INChI SMILES IUPAC name
InChI=1/HSe/h1H [SeH]
State Conformation
2Π
Enthalpy of formation (Hfg), Entropy, Integrated heat capacity (0 K to 298.15 K) (HH), Heat Capacity (Cp)
Property Value Uncertainty units Reference Comment
Information can also be found for this species in the NIST Chemistry Webbook
Vibrational levels (cm-1) vibrations
Mode Number Symmetry Frequency (cm-1) Frequency Reference Intensity (km mol-1) Int. unc. Intensity Reference Comment
1 Σ 2400 1979HUB/HER      

vibrational zero-point energy: 1200.0 cm-1
Calculated vibrational frequencies for HSe- (selenium monohydride anion).
Rotational Constants (cm-1) rotational constants
See section I.F.4 to change rotational constant units
A B C reference comment
  7.78000 7.78000 1979HUB/HER

Calculated rotational constants for HSe- (selenium monohydride anion).

Product of moments of inertia moments of inertia
2.16679amu Å2   3.5981E-40gm cm2

Geometric Data
picture of selenium monohydride anion

Point Group C∞v

Internal coordinates
distances (r) in Å, angles (a) in degrees, dihedrals (d) in degrees
Description Value unc. Connectivity Reference Comment
Atom 1 Atom 2 Atom 3 Atom 4
rHSe 1.475 0.010 1 2 1979HUB/HER

Cartesians
Atom x (Å) y (Å) z (Å)
Se1 0.0000 0.0000 0.0000
H2 0.0000 0.0000 1.4750

Atom - Atom Distances bond lengths
Distances in Å
  Se1 H2
Se1   1.4750
H2 1.4750  

Calculated geometries for HSe- (selenium monohydride anion).

Bond descriptions
Examples: C-C single bond, C=C, double bond, C#C triple bond, C:C aromatic bond
Bond Type Count
HSe 1

Connectivity
Atom 1 Atom 2
Se1 H2

Electronic energy levels (cm-1)
Energy (cm-1) Degeneracy reference description
0 2   2Π
1815 2 1979HUB/HER
31500 2 1979HUB/HER

Ionization Energies (eV)
Ionization Energy I.E. unc. vertical I.E. v.I.E. unc. Electron Affinity E.A. unc. reference
9.845 0.003     2.213 0.000 webbook

Dipole, Quadrupole and Polarizability
Electric dipole moment dipole
Calculated electric dipole moments for HSe- (selenium monohydride anion).
Electric quadrupole moment quadrupole
Calculated electric quadrupole moments for HSe- (selenium monohydride anion).

References
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squib reference DOI
1979HUB/HER Huber, K.P.; Herzberg, G., Molecular Spectra and Molecular Structure. IV. Constants of Diatomic Molecules,, Van Nostrand Reinhold Co., 1979  
webbook NIST Chemistry Webbook (http://webbook.nist.gov/chemistry)  

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