|
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 BeO (beryllium oxide)
1Σ C*V
1910171554
InChI=1S/Be.O INChIKey=LTPBRCUWZOMYOC-UHFFFAOYSA-N
HF/STO-3G
Point group is C∞v
| Atom |
Internal |
| x (Å) |
y (Å) |
z (Å) |
| Be1 |
0.0000 |
0.0000 |
-0.8460 |
| O2 |
0.0000 |
0.0000 |
0.4230 |
Atom - Atom Distances (Å)
| |
Be1 |
O2 |
| Be1 |
|
1.2690 |
| O2 |
1.2690 |
|
Maximum atom distance is 1.2690Å
between atoms Be1 and O2.
For information on specific bond angles or dihedrals
see the geometry comparison page in section
Comparisons > Geometry > Bonds, angles.