return to home page Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
You are here: Experimental > One molecule all properties

Experimental data for H3AlO3 (Aluminum hydroxide)

22 02 02 11 45
INChI INChIKey SMILES IUPAC name
InChI=1S/Al.3H2O/h;3*1H2/q+3;;;/p-3 O[Al](O)O
State Conformation
1A' C3H
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 Intensity Comment Description
Fundamental(cm-1) Harmonic(cm-1) Reference (km mol-1) unc. Reference
6 E' 3752   webbook      
7 E' 922          
8 E' 655          

Calculated vibrational frequencies for H3AlO3 (Aluminum hydroxide).
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 H3AlO3 (Aluminum hydroxide).
Product of moments of inertia moments of inertia
amu3Å6   0gm3 cm6
Geometric Data
picture of Aluminum hydroxide

Point Group C3h


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 H3AlO3 (Aluminum hydroxide).

Bond descriptions


Examples: C-C single bond, C=C, double bond, C#C triple bond, C:C aromatic bond
Bond Type Count
O-Al 3
H-O 3

Connectivity
Atom 1 Atom 2
Al1 O2
Al1 O3
Al1 O4
O2 H5
O3 H6
O4 H7
Electronic energy levels (cm-1)
Energy (cm-1) Degeneracy reference description
0 1   1A'
An error occurred on the server when processing the URL. Please contact the system administrator.

If you are the system administrator please click here to find out more about this error.