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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 OCSe (Carbonyl selenide)
1Σ C*V
1910171554
InChI=1S/COSe/c2-1-3 INChIKey=RQZJHKMUYSXABM-UHFFFAOYSA-N
PM3
Point group is C∞v
| Atom |
Internal |
| x (Å) |
y (Å) |
z (Å) |
| C1 |
0.0000 |
0.0000 |
-0.9721 |
| O2 |
0.0000 |
0.0000 |
-2.1314 |
| Se3 |
0.0000 |
0.0000 |
0.6731 |
Atom - Atom Distances (Å)
| |
C1 |
O2 |
Se3 |
| C1 |
|
1.1593 |
1.6452 |
| O2 |
1.1593 |
| 2.8045 |
| Se3 |
1.6452 |
2.8045 |
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Maximum atom distance is 2.8045Å
between atoms O2 and Se3.
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
| atom1 |
atom2 |
atom3 |
angle |
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atom1 |
atom2 |
atom3 |
angle |
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O2 |
C1 |
Se3 |
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.