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Experimental data for Cu2 (Copper diatomic)

22 02 02 11 45
INChI INChIKey SMILES IUPAC name
InChI=1S/2Cu ALKZAGKDWUSJED-UHFFFAOYSA-N [Cu][Cu]
State Conformation
1Σg D*H
Enthalpy of formation (Hfg), Entropy, Integrated heat capacity (0 K to 298.15 K) (HH), Heat Capacity (Cp)
Property Value Uncertainty units Reference Comment
Hfg(298.15K) enthalpy of formation 485.34   kJ mol-1 webbook
Hfg(0K) enthalpy of formation     kJ mol-1 webbook
Entropy (298.15K) entropy 241.71   J K-1 mol-1 webbook
Information can also be found for this species in the NIST Chemistry Webbook
Vibrational levels (cm-1) vibrations
Mode Number Symmetry Frequency Intensity Comment Description
Fundamental(cm-1) Harmonic(cm-1) Reference (km mol-1) unc. Reference
1 Σg   265 webbook      

vibrational zero-point energy:   cm-1 (from fundamental vibrations)
Calculated vibrational frequencies for Cu2 (Copper diatomic).
Rotational Constants (cm-1) rotational constants
See section I.F.4 to change rotational constant units
A B C reference comment
  0.10874   webbook Be

Calculated rotational constants for Cu2 (Copper diatomic).
Product of moments of inertia moments of inertia
155.0227amu Å2   2.574252E-38gm cm2
Geometric Data
picture of Copper diatomic

Point Group D∞h


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
rCuCu 2.220   1 2 webbook re

Cartesians
Atom x (Å) y (Å) z (Å)
Cu1 0.0000 0.0000 0.0000
Cu2 0.0000 0.0000 2.2197

Atom - Atom Distances bond lengths
Distances in Å
  Cu1 Cu2
Cu1   2.2197
Cu2 2.2197  

Calculated geometries for Cu2 (Copper diatomic).

Bond descriptions


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