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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
M06-2X/6-311+G(3df,2p)
Point group is Cs
Atom |
Internal |
x (Å) |
y (Å) |
z (Å) |
F1 |
-1.0075 |
-0.4292 |
0.0000 |
C2 |
0.0000 |
0.4165 |
0.0000 |
O3 |
1.1335 |
0.1705 |
0.0000 |
Atom - Atom Distances (Å)
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F1 |
C2 |
O3 |
F1 |
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1.3154 |
2.2234 |
C2 |
1.3154 |
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1.1598 |
O3 |
2.2234 |
1.1598 |
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Maximum atom distance is 2.2234Å
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 |
127.748 |
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For information on specific bond angles or dihedrals
see the geometry comparison page in section
Comparisons > Geometry > Bonds, angles.