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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 O3 (Ozone)
1A1 C2V
1910171554
InChI=1S/O3/c1-3-2 INChIKey=CBENFWSGALASAD-UHFFFAOYSA-N
B3PW91/3-21G
Point group is C2v
Atom |
Internal |
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Principal |
x (Å) |
y (Å) |
z (Å) |
|
a (Å) |
b (Å) |
c (Å) |
O1 |
0.0000 |
0.0000 |
0.4797 |
|
0.4797 |
0.0000 |
0.0000 |
O2 |
0.0000 |
1.1542 |
-0.2398 |
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-0.2398 |
0.0000 |
1.1542 |
O3 |
0.0000 |
-1.1542 |
-0.2398 |
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-0.2398 |
0.0000 |
-1.1542 |
Atom - Atom Distances (Å)
|
O1 |
O2 |
O3 |
O1 |
|
1.3601 |
1.3601 |
O2 |
1.3601 |
| 2.3084 |
O3 |
1.3601 |
2.3084 |
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Maximum atom distance is 2.3084Å
between atoms O2 and O3.
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 |
atom2 |
atom3 |
angle |
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atom1 |
atom2 |
atom3 |
angle |
O2 |
O1 |
O3 |
116.121 |
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For information on specific bond angles or dihedrals
see the geometry comparison page in section
Comparisons > Geometry > Bonds, angles.