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Experimental data for BeH (beryllium monohydride)

22 02 02 11 45
Other names
Beryllium hydride;
INChI INChIKey SMILES IUPAC name
InChI=1S/Be.H AYBCUKQQDUJLQN-UHFFFAOYSA-N [BeH]
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
Hfg(298.15K) enthalpy of formation 321.00 29.00 kJ mol-1 JANAF
Hfg(0K) enthalpy of formation 319.00 29.00 kJ mol-1 JANAF
Entropy (298.15K) entropy 176.82   J K-1 mol-1 JANAF
Integrated Heat Capacity (0 to 298.15K) integrated heat capacity 8.65   kJ mol-1 JANAF
Heat Capacity (298.15K) heat capacity 29.24   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 Σ 1987 2061 2007Iri:389      

Detailed diatomic data
ωe ωexe ωeye Be αe ZPE reference
2061.235 37.32666 0.084 10.31992 0.3084176 1022.232 2007Iri:389

vibrational zero-point energy: 993.4 cm-1 (from fundamental vibrations)
Calculated vibrational frequencies for BeH (beryllium monohydride).
Rotational Constants (cm-1) rotational constants
See section I.F.4 to change rotational constant units
A B C reference comment
  10.31992   2007Iri:389

Calculated rotational constants for BeH (beryllium monohydride).
Product of moments of inertia moments of inertia
1.633504amu Å2   2.712535E-40gm cm2
Geometric Data
picture of beryllium 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
rBeH 1.343   1 2 1979HUB/HER re

Cartesians
Atom x (Å) y (Å) z (Å)
Be1 0.0000 0.0000 0.0000
H2 0.0000 0.0000 1.3426

Atom - Atom Distances bond lengths
Distances in Å
  Be1 H2
Be1   1.3426
H2 1.3426  

Calculated geometries for BeH (beryllium monohydride).

Bond descriptions


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

Connectivity
Atom 1 Atom 2
Be1 H2
Electronic energy levels (cm-1) An error occurred on the server when processing the URL. Please contact the system administrator.

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