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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 SF3 (Sulfur trifluoride)
2A' CS
1910171554
InChI=1S/F3S/c1-4(2)3 INChIKey=PSCXEUSWZWRCMQ-UHFFFAOYSA-N
TPSSh/6-31G*
Point group is Cs
Atom |
Internal |
|
Principal |
x (Å) |
y (Å) |
z (Å) |
|
a (Å) |
b (Å) |
c (Å) |
S1 |
-0.3295 |
-0.1966 |
0.0000 |
|
0.1963 |
-0.0105 |
-0.3295 |
F2 |
1.2450 |
0.0583 |
0.0000 |
|
-0.0582 |
0.0031 |
1.2450 |
F3 |
-0.3295 |
0.1456 |
1.6361 |
|
-0.2329 |
-1.6260 |
-0.3295 |
F4 |
-0.3295 |
0.1456 |
-1.6361 |
|
-0.0579 |
1.6416 |
-0.3295 |
Atom - Atom Distances (Å)
|
S1 |
F2 |
F3 |
F4 |
S1 |
| 1.5950 |
1.6715 |
1.6715 |
F2 |
1.5950 |
| 2.2724 |
2.2724 |
F3 |
1.6715 |
2.2724 |
| 3.2723 |
F4 |
1.6715 |
2.2724 |
3.2723 |
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Maximum atom distance is 3.2723Å
between atoms F3 and F4.
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 |
atom2 |
atom3 |
angle |
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atom1 |
atom2 |
atom3 |
angle |
F2 |
S1 |
F3 |
88.125 |
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F2 |
S1 |
F4 |
88.125 |
F3 |
S1 |
F4 |
156.376 |
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For information on specific bond angles or dihedrals
see the geometry comparison page in section
Comparisons > Geometry > Bonds, angles.