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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 SF5 (Sulfur pentafluoride)
2A1 C4V
1910171554
InChI=1S/F5S/c1-6(2,3,4)5 INChIKey=HAQZDUWRNKKMQY-UHFFFAOYSA-N
QCISD/6-31G**
Point group is C4v
Atom |
Internal |
|
Principal |
x (Å) |
y (Å) |
z (Å) |
|
a (Å) |
b (Å) |
c (Å) |
S1 |
0.0000 |
0.0000 |
0.2111 |
|
0.0000 |
0.0000 |
0.2111 |
F2 |
0.0000 |
0.0000 |
-1.3646 |
|
0.0000 |
0.0000 |
-1.3646 |
F3 |
0.0000 |
1.6257 |
0.2473 |
|
1.6257 |
0.0000 |
0.2473 |
F4 |
-1.6257 |
0.0000 |
0.2473 |
|
0.0000 |
-1.6257 |
0.2473 |
F5 |
0.0000 |
-1.6257 |
0.2473 |
|
-1.6257 |
0.0000 |
0.2473 |
F6 |
1.6257 |
0.0000 |
0.2473 |
|
0.0000 |
1.6257 |
0.2473 |
Atom - Atom Distances (Å)
|
S1 |
F2 |
F3 |
F4 |
F5 |
F6 |
S1 |
| 1.5757 |
1.6261 |
1.6261 |
1.6261 |
1.6261 |
F2 |
1.5757 |
| 2.2893 |
2.2893 |
2.2893 |
2.2893 |
F3 |
1.6261 |
2.2893 |
| 2.2991 |
3.2514 |
2.2991 |
F4 |
1.6261 |
2.2893 |
2.2991 |
| 2.2991 |
3.2514 |
F5 |
1.6261 |
2.2893 |
3.2514 |
2.2991 |
| 2.2991 |
F6 |
1.6261 |
2.2893 |
2.2991 |
3.2514 |
2.2991 |
|
Maximum atom distance is 3.2514Å
between atoms F3 and F5.
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 |
atom2 |
atom3 |
angle |
|
atom1 |
atom2 |
atom3 |
angle |
F2 |
S1 |
F3 |
91.277 |
|
F2 |
S1 |
F4 |
91.277 |
F2 |
S1 |
F5 |
91.277 |
|
F2 |
S1 |
F6 |
91.277 |
F3 |
S1 |
F4 |
89.972 |
|
F3 |
S1 |
F5 |
177.447 |
F3 |
S1 |
F6 |
89.972 |
|
F4 |
S1 |
F5 |
89.972 |
F4 |
S1 |
F6 |
177.447 |
|
F5 |
S1 |
F6 |
89.972 |
For information on specific bond angles or dihedrals
see the geometry comparison page in section
Comparisons > Geometry > Bonds, angles.