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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
HF/CEP-121G*
Point group is Cs
| Atom |
Internal |
|
Principal |
| x (Å) |
y (Å) |
z (Å) |
|
a (Å) |
b (Å) |
c (Å) |
| F1 |
-1.0058 |
-0.4296 |
0.0000 |
|
1.0902 |
0.0876 |
0.0000 |
| C2 |
0.0000 |
0.4127 |
0.0000 |
|
-0.1312 |
-0.3913 |
0.0000 |
| O3 |
1.1315 |
0.1738 |
0.0000 |
|
-1.1281 |
0.1949 |
0.0000 |
Atom - Atom Distances (Å)
| |
F1 |
C2 |
O3 |
| F1 |
|
1.3119 |
2.2208 |
| C2 |
1.3119 |
|
1.1564 |
| O3 |
2.2208 |
1.1564 |
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Maximum atom distance is 2.2208Å
between atoms F1 and O3.
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
| atom1 |
atom2 |
atom3 |
angle |
|
atom1 |
atom2 |
atom3 |
angle |
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F1 |
C2 |
O3 |
128.133 |
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For information on specific bond angles or dihedrals
see the geometry comparison page in section
Comparisons > Geometry > Bonds, angles.