National Institute of Standards and Technology
Computational Chemistry Comparison and Benchmark DataBase
Release 22May 2022
NIST Standard Reference Database 101
IIntroduction
IIExperimental data
IIICalculated data
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XIXIndex of properties
XXH-bond dimers
XXIOddities
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II.A.3. (XII.A.1.)

Listing of experimental geometry data for ZnH2 (Zinc hydride)

Rotational Constants (cm-1)


See section I.F.4 to change rotational constant units
A B C
  3.54823  
Rotational Constants from 2004Sha/App:14356
Calculated rotational constants for ZnH2 (Zinc hydride).

Point Group C2v

Internal coordinates

(distances (r) in Å) (angles (a) in degrees) (dihedrals (d) in degrees)
Description Value Connectivity Reference Comment
Atom 1 Atom 2 Atom 3 Atom 4
rZnH 1.535 1 2 2004Sha/App:14356
picture of Zinc hydride

Bond descriptions


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

Atom x (Å) y (Å) z (Å)
Zn1 0.0000 0.0000 0.0000
H2 0.0000 0.0000 1.5353
H3 0.0000 0.0000 -1.5353

Atom - Atom Distances (Å)

  Zn1 H2 H3
Zn11.53531.5353
H21.53533.0705
H31.53533.0705

Calculated geometries for ZnH2 (Zinc hydride).
References
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squib reference DOI
2004Sha/App:14356 A Shayesteh, DRT Appadoo, IE Gordon, PF Bernath "Vibration-Rotation Emission Spectra of Gaseous ZnH2 and Zn D2"J. Am. Chem. Soc. 2004, 126, 14356-14357 10.1021/ja046050b

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