Hydrogen | SSHADE

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Molecule

Name: Hydrogen

Name and identifiers

IUPAC name: Dihydrogen
Secondary names: Dihydrogen, molecular hydrogen, H2
InChI: InChI=1S/H2/h1H
InChI key: UFHFLCQGNIYNRP-UHFFFAOYSA-N
CAS number: 1333-74-0
Comments: natural $H_2$

Structure and atomic composition

Formula: $H_2$
Chemical formula: H2
Structural formula: [H][H]
Charge: 0
Unpaired electrons: 0

	Atom	Name	Number
	$H$	Hydrogen	2

Relations

no

Isotopic composition

Isotope mixture type

terrestrial abundance

Isotopes

	Isotope	Mole fraction
	$^1H_2$	0.99977
	$HD$	0.00022997
	$D_2$	1.323e-08

Nuclear spin isomers

Spin type: equilibrated
Spin quantum numbers: 0, 1

Molar mass: 2.01588 $g/mol$
State STP: gas
Protic: protic
Polarity: nonpolar
Dipole: 0.0 $D$

Fundamental vibration modes

Molecule symmetry

Dinfh

Case

diatomic

Vibrations number

1

Vibrations

Label	Mode	Bond	Symmetry	Degeneracy	Fundamental frequency	Observed frequency	Observed frequency	Harmonic frequency	Activity IR	Activity Raman	Strength	Comments
V1	stretching	$H-H$	$A_{1}$	no	4161.0			4401.21	inactive	active	ia	intensity is vvw

Comments

Vibrations of the main isotope:

$^1H_2$ . Data from VPL database and NIST Chemistry WebBook

Chemical functions and bonds

Chemical bonds

	Bond	Number
	$H-H$	1