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Computational Chemistry Comparison and Benchmark DataBase
Release 22 (May 2022) Standard Reference Database 101
National Institute of Standards and Technology
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Geometry for BeO (beryllium oxide)
1Σ C*V
1910171554
InChI=1S/Be.O INChIKey=LTPBRCUWZOMYOC-UHFFFAOYSA-N
PBE1PBE/6-31G(2df,p)
Point group is C∞v
Atom |
Internal |
x (Å) |
y (Å) |
z (Å) |
Be1 |
0.0000 |
0.0000 |
-0.8815 |
O2 |
0.0000 |
0.0000 |
0.4407 |
Atom - Atom Distances (Å)
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Be1 |
O2 |
Be1 |
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1.3222 |
O2 |
1.3222 |
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Maximum atom distance is 1.3222Å
between atoms Be1 and O2.
For information on specific bond angles or dihedrals
see the geometry comparison page in section
Comparisons > Geometry > Bonds, angles.