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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 HBO (Boron hydride oxide)
1Σ C*V
1910171554
InChI=1S/BHO/c1-2/h1H INChIKey=UXUFOKFTFHRQTE-UHFFFAOYSA-N
MP2/CEP-31G
Point group is C∞v
Atom |
Internal |
x (Å) |
y (Å) |
z (Å) |
B1 |
0.0000 |
0.0000 |
-0.6322 |
H2 |
0.0000 |
0.0000 |
-1.8078 |
O3 |
0.0000 |
0.0000 |
0.6211 |
Atom - Atom Distances (Å)
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B1 |
H2 |
O3 |
B1 |
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1.1756 |
1.2533 |
H2 |
1.1756 |
| 2.4289 |
O3 |
1.2533 |
2.4289 |
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Maximum atom distance is 2.4289Å
between atoms H2 and O3.
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 |
H2 |
B1 |
O3 |
180.000 |
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For information on specific bond angles or dihedrals
see the geometry comparison page in section
Comparisons > Geometry > Bonds, angles.