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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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You are here: Home > Geometry > Calculated > Calculated geometry OR Calculated > Geometry > Calculated geometry
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Geometry for GeO2 (Germanium dioxide)
1Σg D*H
1910171554
InChI=1S/GeO2/c2-1-3 INChIKey=YBMRDBCBODYGJE-UHFFFAOYSA-N
PBEPBEultrafine/6-31G*
Point group is D∞h
| Atom |
Internal |
| x (Å) |
y (Å) |
z (Å) |
| Ge1 |
0.0000 |
0.0000 |
0.0000 |
| O2 |
0.0000 |
0.0000 |
1.6554 |
| O3 |
0.0000 |
0.0000 |
-1.6554 |
Atom - Atom Distances (Å)
| |
Ge1 |
O2 |
O3 |
| Ge1 |
| 1.6554 |
1.6554 |
| O2 |
1.6554 |
| 3.3107 |
| O3 |
1.6554 |
3.3107 |
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Maximum atom distance is 3.3107Å
between atoms O2 and O3.
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
| atom1 |
atom2 |
atom3 |
angle |
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atom1 |
atom2 |
atom3 |
angle |
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O2 |
Ge1 |
O3 |
180.000 |
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For information on specific bond angles or dihedrals
see the geometry comparison page in section
Comparisons > Geometry > Bonds, angles.