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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 FClO (chlorosyl fluoride)
1A' CS
1910171554
InChI=1S/ClFO/c2-1-3 INChIKey=AXCBHWGTRNNXKG-UHFFFAOYSA-N
LSDA/6-311G*
Point group is Cs
Atom |
Internal |
|
Principal |
x (Å) |
y (Å) |
z (Å) |
|
a (Å) |
b (Å) |
c (Å) |
F1 |
-1.2500 |
-0.7693 |
0.0000 |
|
-1.4283 |
-0.3381 |
0.0000 |
Cl2 |
0.0000 |
0.4596 |
0.0000 |
|
0.1443 |
0.4364 |
0.0000 |
O3 |
1.4063 |
-0.1112 |
0.0000 |
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1.3003 |
-0.5470 |
0.0000 |
Atom - Atom Distances (Å)
|
F1 |
Cl2 |
O3 |
F1 |
| 1.7529 |
2.7366 |
Cl2 |
1.7529 |
| 1.5177 |
O3 |
2.7366 |
1.5177 |
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Maximum atom distance is 2.7366Å
between atoms F1 and O3.
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 |
atom2 |
atom3 |
angle |
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atom1 |
atom2 |
atom3 |
angle |
F1 |
Cl2 |
O3 |
113.394 |
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For information on specific bond angles or dihedrals
see the geometry comparison page in section
Comparisons > Geometry > Bonds, angles.