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Experimental data for H2Cl+ (dihydrogen monochloride cation)

22 02 02 11 45
Other names
chloronium;
INChI INChIKey SMILES IUPAC name
InChI=1S/ClH2/h1H2/q+1 IGJWHVUMEJASKV-UHFFFAOYSA-N [ClH2+]
State Conformation
1A1 C2V
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
1 A1 2643   webbook      
2 A1 1184   webbook      

Calculated vibrational frequencies for H2Cl+ (dihydrogen monochloride cation).
Rotational Constants (cm-1) rotational constants
See section I.F.4 to change rotational constant units
A B C reference comment
11.25285 9.12588 4.94010 2001Ara/Fur:132

Calculated rotational constants for H2Cl+ (dihydrogen monochloride cation).
Product of moments of inertia moments of inertia
9.443149amu3Å6   4.32399130906563E-119gm3 cm6
Geometric Data
picture of dihydrogen monochloride cation

Point Group C2v


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
rHCl 1.321 0.000 1 2 2001Ara/Fur:132 rz
aHClH 94.238 0.072 2 1 3 2001Ara/Fur:132

Cartesians
Atom x (Å) y (Å) z (Å)
Cl1 0.0000 0.0000 0.0946
H2 0.0000 0.9677 -0.8040
H3 0.0000 -0.9677 -0.8040

Atom - Atom Distances bond lengths
Distances in Å
  Cl1 H2 H3
Cl1   1.32061.3206
H2 1.3206   1.9353
H3 1.32061.9353  

Calculated geometries for H2Cl+ (dihydrogen monochloride cation).

Experimental Bond Angles (degrees) from cartesians bond angles

atom1 atom2 atom3 angle
H2 Cl1 H3 94.238

Bond descriptions


Examples: C-C single bond, C=C, double bond, C#C triple bond, C:C aromatic bond
Bond Type Count
H-Cl 2

Connectivity
Atom 1 Atom 2
Cl1 H2
Cl1 H3
Electronic energy levels (cm-1)
Energy (cm-1) Degeneracy reference description
0 1   1A1
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