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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 SFCl (Sulfur chloride fluoride)
1A' CS
1910171554
InChI=1S/ClFS/c1-3-2 INChIKey=
PBEPBEultrafine/6-31G*
Point group is Cs
| Atom |
Internal |
|
Principal |
| x (Å) |
y (Å) |
z (Å) |
|
a (Å) |
b (Å) |
c (Å) |
| S1 |
0.0000 |
0.8282 |
0.0000 |
|
-0.5520 |
-0.6175 |
0.0000 |
| F2 |
1.6127 |
0.4883 |
0.0000 |
|
-1.5278 |
0.7107 |
0.0000 |
| Cl3 |
-0.8538 |
-1.0380 |
0.0000 |
|
1.3283 |
0.2049 |
0.0000 |
Atom - Atom Distances (Å)
| |
S1 |
F2 |
Cl3 |
| S1 |
| 1.6481 |
2.0523 |
| F2 |
1.6481 |
| 2.9005 |
| Cl3 |
2.0523 |
2.9005 |
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Maximum atom distance is 2.9005Å
between atoms F2 and Cl3.
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
| atom1 |
atom2 |
atom3 |
angle |
|
atom1 |
atom2 |
atom3 |
angle |
|
F2 |
S1 |
Cl3 |
102.680 |
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For information on specific bond angles or dihedrals
see the geometry comparison page in section
Comparisons > Geometry > Bonds, angles.