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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 HO2 (Hydroperoxy radical)
2A" CS
1910171554
InChI=1S/HO2/c1-2/h1H INChIKey=OUUQCZGPVNCOIJ-UHFFFAOYSA-N
HF/Def2TZVPP
Point group is Cs
| Atom |
Internal |
| x (Å) |
y (Å) |
z (Å) |
| O1 |
0.0533 |
-0.5975 |
0.0000 |
| O2 |
0.0533 |
0.7059 |
0.0000 |
| H3 |
-0.8532 |
-0.8668 |
0.0000 |
Atom - Atom Distances (Å)
| |
O1 |
O2 |
H3 |
| O1 |
|
1.3034 |
0.9457 |
| O2 |
1.3034 |
| 1.8152 |
| H3 |
0.9457 |
1.8152 |
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Maximum atom distance is 1.8152Å
between atoms O2 and H3.
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
| atom1 |
atom2 |
atom3 |
angle |
|
atom1 |
atom2 |
atom3 |
angle |
Calculated Bond Angles (degrees) (Involving Hydrogens)
| atom1 |
atom2 |
atom3 |
angle |
|
atom1 |
atom2 |
atom3 |
angle |
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O2 |
O1 |
H3 |
106.547 |
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For information on specific bond angles or dihedrals
see the geometry comparison page in section
Comparisons > Geometry > Bonds, angles.