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 > Calculated > Calculated geometry OR Calculated > Geometry > Calculated geometry

Geometry for BeC (Beryllium Carbide) 3Σ- C*V

1910171554
InChI=1S/C.Be INChIKey=XBJYWZKBHDUHGE-UHFFFAOYSA-N

B1B95/STO-3G


Point group is C∞v
Atom Internal
x (Å) y (Å) z (Å)
Be1 0.0000 0.0000 -0.9938
C2 0.0000 0.0000 0.6625
Atom - Atom Distances (Å)
  Be1 C2
Be1 1.6563
C2 1.6563
Maximum atom distance is 1.6563Å between atoms Be1 and C2.
picture of Beryllium Carbide

For information on specific bond angles or dihedrals see the geometry comparison page in section Comparisons > Geometry > Bonds, angles.