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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 FCO (Carbonyl fluoride)
2A' CS
1910171554
InChI=1S/CFO/c2-1-3 INChIKey=CJXGPJZUDUOZDX-UHFFFAOYSA-N
MP2/6-31G**
Point group is Cs
Atom |
Internal |
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Principal |
x (Å) |
y (Å) |
z (Å) |
|
a (Å) |
b (Å) |
c (Å) |
F1 |
-1.0274 |
-0.4397 |
0.0000 |
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1.1149 |
0.0772 |
0.0000 |
C2 |
0.0000 |
0.4228 |
0.0000 |
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-0.1391 |
-0.3993 |
0.0000 |
O3 |
1.1559 |
0.1776 |
0.0000 |
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-1.1499 |
0.2126 |
0.0000 |
Atom - Atom Distances (Å)
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F1 |
C2 |
O3 |
F1 |
|
1.3414 |
2.2689 |
C2 |
1.3414 |
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1.1816 |
O3 |
2.2689 |
1.1816 |
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Maximum atom distance is 2.2689Å
between atoms F1 and O3.
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 |
atom2 |
atom3 |
angle |
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atom1 |
atom2 |
atom3 |
angle |
F1 |
C2 |
O3 |
128.009 |
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For information on specific bond angles or dihedrals
see the geometry comparison page in section
Comparisons > Geometry > Bonds, angles.