## II.A.1. (XV.A.) |

INChI | SMILES | IUPAC name |
---|---|---|

InChI=1S/HHe/h1H | [HeH] |

State | Conformation |
---|---|

^{2}Σ |
C*V |

Enthalpy of formation (Hfg),
Entropy,
Integrated heat capacity (0 K to 298.15 K) (HH),
Heat Capacity (Cp)

Information can also be found for this species in the
NIST Chemistry Webbook

Property | Value | Uncertainty | units | Reference | Comment |
---|

Vibrational levels (cm^{-1})

Calculated vibrational frequencies for HeH (Helium hydride).

Mode Number | Symmetry | Frequency (cm^{-1}) |
Frequency Reference | Intensity (km mol^{-1}) |
Int. unc. | Intensity Reference | Comment |
---|

Calculated vibrational frequencies for HeH (Helium hydride).

Rotational Constants (cm^{-1})

See section I.F.4 to change rotational constant units

Calculated rotational constants for HeH (Helium hydride).

See section I.F.4 to change rotational constant units

A | B | C | reference | comment |
---|

Calculated rotational constants for HeH (Helium hydride).

Product of moments of inertia | ||||
---|---|---|---|---|

amu^{3}Å^{6} |
0 | gm^{3} cm^{6} |

Geometric Data

Calculated geometries for HeH (Helium hydride).

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 |

Cartesians

Atom | x (Å) | y (Å) | z (Å) |
---|

Atom - Atom Distances

Distances in Å

Calculated geometries for HeH (Helium hydride).

Bond descriptions

Examples: C-C single bond, C=C, double bond, C#C triple bond, C:C aromatic bond

Bond Type | Count |
---|---|

H-He | 1 |

Connectivity

Atom 1 | Atom 2 |
---|---|

He1 | H2 |

Electronic energy levels (cm^{-1})

Energy (cm^{-1}) |
Degeneracy | reference | description |
---|

Dipole, Quadrupole and Polarizability

Electric dipole moment

Calculated electric dipole moments for HeH (Helium hydride).

Electric quadrupole moment

Calculated electric quadrupole moments for HeH (Helium hydride).

Electric dipole moment

Calculated electric dipole moments for HeH (Helium hydride).

Electric quadrupole moment

Calculated electric quadrupole moments for HeH (Helium hydride).

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