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

Listing of experimental data for GaH3 (Gallium trihydride)

INChI SMILES IUPAC name
InChI=1S/Ga.3H [GaH3]
State Conformation
1A1' D3H
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
2 A2" 721 webbook      
3 E' 1933 webbook      
4 E' 758 webbook      

Calculated vibrational frequencies for GaH3 (Gallium trihydride).
Rotational Constants (cm-1) rotational constants
See section I.F.4 to change rotational constant units
A B C reference comment

Calculated rotational constants for GaH3 (Gallium trihydride).

Product of moments of inertia moments of inertia
amu3Å6   0gm3 cm6

Geometric Data
picture of Gallium trihydride

Point Group D3h

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

Cartesians
Atom x (Å) y (Å) z (Å)

Atom - Atom Distances bond lengths
Distances in Å
 

Calculated geometries for GaH3 (Gallium trihydride).

Bond descriptions
Examples: C-C single bond, C=C, double bond, C#C triple bond, C:C aromatic bond
Bond Type Count
H-Ga 3

Connectivity
Atom 1 Atom 2
Ga1 H2
Ga1 H3
Ga1 H4

Electronic energy levels (cm-1)
Energy (cm-1) Degeneracy reference description
Dipole, Quadrupole and Polarizability
Electric dipole moment dipole
For a molecule with D3h symmetry there is no dipole.
Electric quadrupole moment quadrupole
Calculated electric quadrupole moments for GaH3 (Gallium trihydride).

References
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squib reference DOI
webbook NIST Chemistry Webbook (http://webbook.nist.gov/chemistry)  

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