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 H2NN (Isodiazene)

22 02 02 11 45
INChI INChIKey SMILES IUPAC name
InChI=1S/H2N2/c1-2/h1H2/ [NH2]=[N]
InChI=1S/H2N2/c1-2/h1H2 [NH2+][N-]
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 2862   webbook       NH2 s-str
2 A1 1645           NH2 scissors
3 A1 1574           N=N str
4 B1 1003           OPLA
5 B2 2805           NH2 a-str
6 B2 1288           NH2 rock

vibrational zero-point energy: 5587.9 cm-1 (from fundamental vibrations)
Calculated vibrational frequencies for H2NN (Isodiazene).
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 H2NN (Isodiazene).
Product of moments of inertia moments of inertia
amu3Å6   0gm3 cm6
Geometric Data
picture of Isodiazene

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

Cartesians
Atom x (Å) y (Å) z (Å)

Atom - Atom Distances bond lengths
Distances in Å
 

Calculated geometries for H2NN (Isodiazene).

Bond descriptions


Examples: C-C single bond, C=C, double bond, C#C triple bond, C:C aromatic bond
Bond Type Count
N=N 1
N-H 2

Connectivity
Atom 1 Atom 2
N1 N2
N1 H3
N1 H4
Electronic energy levels (cm-1) 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.