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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
MP2=FULL/STO-3G
Point group is Cs
Atom |
Internal |
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Principal |
x (Å) |
y (Å) |
z (Å) |
|
a (Å) |
b (Å) |
c (Å) |
O1 |
0.0590 |
-0.6304 |
0.0000 |
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-0.6257 |
0.0968 |
0.0000 |
O2 |
0.0590 |
0.7416 |
0.0000 |
|
0.7438 |
0.0143 |
0.0000 |
H3 |
-0.9441 |
-0.8895 |
0.0000 |
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-0.9447 |
-0.8889 |
0.0000 |
Atom - Atom Distances (Å)
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O1 |
O2 |
H3 |
O1 |
|
1.3719 |
1.0361 |
O2 |
1.3719 |
| 1.9148 |
H3 |
1.0361 |
1.9148 |
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Maximum atom distance is 1.9148Å
between atoms O2 and H3.
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 |
atom2 |
atom3 |
angle |
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atom1 |
atom2 |
atom3 |
angle |
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 |
atom2 |
atom3 |
angle |
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atom1 |
atom2 |
atom3 |
angle |
O2 |
O1 |
H3 |
104.482 |
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For information on specific bond angles or dihedrals
see the geometry comparison page in section
Comparisons > Geometry > Bonds, angles.