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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 O2 (Oxygen diatomic)
3Σg D*H
1910171554
InChI=1S/O2/c1-2 INChIKey=MYMOFIZGZYHOMD-UHFFFAOYSA-N
MP2=FULL/3-21G
Point group is D∞h
Atom |
Internal |
x (Å) |
y (Å) |
z (Å) |
O1 |
0.0000 |
0.0000 |
0.6959 |
O2 |
0.0000 |
0.0000 |
-0.6959 |
Atom - Atom Distances (Å)
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O1 |
O2 |
O1 |
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1.3918 |
O2 |
1.3918 |
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Maximum atom distance is 1.3918Å
between atoms O1 and O2.
For information on specific bond angles or dihedrals
see the geometry comparison page in section
Comparisons > Geometry > Bonds, angles.