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Experimental data for OH- (hydroxide anion)

22 02 02 11 45
Other names
Hydroxyl anion; Hydroxyl; hydroxide;
INChI INChIKey SMILES IUPAC name
InChI=1S/H2O/h1H2/p-1 XLYOFNOQVPJJNP-UHFFFAOYSA-M [OH-] hydroxide
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
Hfg(298.15K) enthalpy of formation -143.18 0.28 kJ mol-1 Gurvich
Hfg(0K) enthalpy of formation -137.02 0.28 kJ mol-1 Gurvich
Entropy (298.15K) entropy     J K-1 mol-1  
Heat Capacity (298.15K) heat capacity     J K-1 mol-1  
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   3738 1986Ros/Owr:5308       ome

vibrational zero-point energy:   cm-1 (from fundamental vibrations)
Calculated vibrational frequencies for OH- (hydroxide anion).
Rotational Constants (cm-1) rotational constants
See section I.F.4 to change rotational constant units
A B C reference comment
  19.12087   1986Ros/Owr:5308 De=0.0019949, αe=0.77167

Calculated rotational constants for OH- (hydroxide anion).
Product of moments of inertia moments of inertia
0.8816351amu Å2   1.464007E-40gm cm2
Geometric Data
picture of hydroxide anion

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
rOH 0.964   1 2 1986Ros/Owr:5308 re

Cartesians
Atom x (Å) y (Å) z (Å)
O1 0.0000 0.0000 0.0000
H2 0.0000 0.0000 0.9640

Atom - Atom Distances bond lengths
Distances in Å
  O1 H2
O1   0.9640
H2 0.9640  

Calculated geometries for OH- (hydroxide anion).

Bond descriptions


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

Connectivity
Atom 1 Atom 2
O1 H2
Electronic energy levels (cm-1)
Energy (cm-1) Degeneracy reference description
0 1   1Σ
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