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

Listing of experimental data for NeH (neon hydrogen)

INChI SMILES IUPAC name
InChI=1S/HNe/h1H [NeH]
State Conformation
2Σ C*V
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

Calculated vibrational frequencies for NeH (neon hydrogen).
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 NeH (neon hydrogen).

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

Geometric Data
picture of neon hydrogen

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

Cartesians
Atom x (Å) y (Å) z (Å)

Atom - Atom Distances bond lengths
Distances in Å
 

Calculated geometries for NeH (neon hydrogen).

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

Connectivity
Atom 1 Atom 2
Ne1 H2

Electronic energy levels (cm-1)
Energy (cm-1) Degeneracy reference description
Dipole, Quadrupole and Polarizability
Electric dipole moment dipole
Calculated electric dipole moments for NeH (neon hydrogen).
Electric quadrupole moment quadrupole
Calculated electric quadrupole moments for NeH (neon hydrogen).

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