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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 BO (boron monoxide)
2Σ C*V
1910171554
InChI=1S/BO/c1-2 INChIKey=MOWNZPNSYMGTMD-UHFFFAOYSA-N
M06-2X/6-31G**
Point group is C∞v
Atom |
Internal |
x (Å) |
y (Å) |
z (Å) |
B1 |
0.0000 |
0.0000 |
-0.7406 |
O2 |
0.0000 |
0.0000 |
0.4629 |
Atom - Atom Distances (Å)
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B1 |
O2 |
B1 |
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1.2035 |
O2 |
1.2035 |
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Maximum atom distance is 1.2035Å
between atoms B1 and O2.
For information on specific bond angles or dihedrals
see the geometry comparison page in section
Comparisons > Geometry > Bonds, angles.