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: Home > Geometry > Experimental > Experimental Geometries OR Experimental > Geometry > Experimental Geometries

Listing of experimental geometry data for ScH (Scandium monohydride)

Rotational Constants (cm-1)


See section I.F.4 to change rotational constant units
A B C
  5.42543  
Rotational Constants from 1996Ram/Ber:2668
Calculated rotational constants for ScH (Scandium monohydride).

Point Group C∞v

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
rScH 1.775 1 2 1996Ram/Ber:2668 re
picture of Scandium monohydride

Bond descriptions


Examples: C-C single bond, C=C, double bond, C#C triple bond, C:C aromatic bond
Bond Type Count
H-Sc 1
Atom x (Å) y (Å) z (Å)
Sc1 0.0000 0.0000 0.0000
H2 0.0000 0.0000 1.7754

Atom - Atom Distances (Å)
  Sc1 H2
Sc11.7754
H21.7754

Calculated geometries for ScH (Scandium monohydride).
References
By selecting the following links, you may be leaving NIST webspace. We have provided these links to other web sites because they may have information that would be of interest to you. No inferences should be drawn on account of other sites being referenced, or not, from this page. There may be other web sites that are more appropriate for your purpose. NIST does not necessarily endorse the views expressed, or concur with the facts presented on these sites. Further, NIST does not endorse any commercial products that may be mentioned on these sites. Please address comments about this page to cccbdb@nist.gov.
squib reference DOI
1996Ram/Ber:2668 RS Ram, PF Bernath "Fourier transform emission spectroscopy of the B (1)Pi-X(1)Sigma(+), C (1)Sigma(+)-X (1)Sigma(+), and G (1)Pi-X (1)Sigma(+) systems of ScH and ScD" J. Chem. Phys. 105(7) 2668-2674, 1996 10.1063/1.472130

Got a better number? Please email us at cccbdb@nist.gov


Browse
PreviousNext