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Experimental data for Se2 (Selenium diatomic)

22 02 02 11 45
INChI INChIKey SMILES IUPAC name
InChI=1S/Se2/c1-2 XIMIGUBYDJDCKI-UHFFFAOYSA-N [Se]=[Se]
State Conformation
3Σg 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 141.10 3.00 kJ mol-1 2005Se
Hfg(0K) enthalpy of formation   3.00 kJ mol-1 2005Se
Entropy (298.15K) entropy 247.38 0.40 J K-1 mol-1 2005Se
Heat Capacity (298.15K) heat capacity 41.71 0.20 J K-1 mol-1 2005Se
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   385 1979HUB/HER      

vibrational zero-point energy:   cm-1 (from fundamental vibrations)
Calculated vibrational frequencies for Se2 (Selenium diatomic).
Rotational Constants (cm-1) rotational constants
See section I.F.4 to change rotational constant units
A B C reference comment
  0.08992 0.08992 1979HUB/HER

Calculated rotational constants for Se2 (Selenium diatomic).
Product of moments of inertia moments of inertia
187.4736amu Å2   3.113122E-38gm cm2
Geometric Data
picture of Selenium 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
rSeSe 2.166 0.001 1 2 1979HUB/HER re

Cartesians
Atom x (Å) y (Å) z (Å)
Se1 0.0000 0.0000 0.0000
Se2 0.0000 0.0000 2.1660

Atom - Atom Distances bond lengths
Distances in Å
  Se1 Se2
Se1   2.1660
Se2 2.1660  

Calculated geometries for Se2 (Selenium diatomic).

Bond descriptions


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