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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 LiO (lithium oxide)
2Σ C*V
1910171554
InChI=1S/Li.O INChIKey=QTJOIXXDCCFVFV-UHFFFAOYSA-N
MP4=FULL/3-21G
Point group is C∞v
Atom |
Internal |
x (Å) |
y (Å) |
z (Å) |
O1 |
0.0000 |
0.0000 |
0.4619 |
Li2 |
0.0000 |
0.0000 |
-1.2318 |
Atom - Atom Distances (Å)
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O1 |
Li2 |
O1 |
| 1.6937 |
Li2 |
1.6937 |
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Maximum atom distance is 1.6937Å
between atoms O1 and Li2.
For information on specific bond angles or dihedrals
see the geometry comparison page in section
Comparisons > Geometry > Bonds, angles.