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

Listing of experimental data for CuH (Copper monohydride)

INChI SMILES IUPAC name
InChI=1S/Cu.H [CuH]
State Conformation
1Σ 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
1 Σ 1941 webbook      

vibrational zero-point energy: 970.6 cm-1
Calculated vibrational frequencies for CuH (Copper monohydride).
Rotational Constants (cm-1) rotational constants
See section I.F.4 to change rotational constant units
A B C reference comment
  7.94410   webbook

Calculated rotational constants for CuH (Copper monohydride).

Product of moments of inertia moments of inertia
2.122031amu Å2   3.523775E-40gm cm2

Geometric Data
picture of Copper monohydride

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
rHCu 1.463   1 2 webbook re

Cartesians
Atom x (Å) y (Å) z (Å)
Cu1 0.0000 0.0000 0.0000
H2 0.0000 0.0000 1.4626

Atom - Atom Distances bond lengths
Distances in Å
  Cu1 H2
Cu1   1.4626
H2 1.4626  

Calculated geometries for CuH (Copper monohydride).

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

Connectivity
Atom 1 Atom 2
Cu1 H2

Electronic energy levels (cm-1)
Energy (cm-1) Degeneracy reference description
0 1   1Σ
Dipole, Quadrupole and Polarizability
Electric dipole moment dipole
Calculated electric dipole moments for CuH (Copper monohydride).
Electric quadrupole moment quadrupole
Calculated electric quadrupole moments for CuH (Copper monohydride).

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

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