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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
B3LYP/SDD
Point group is C4v
Atom |
Internal |
|
Principal |
x (Å) |
y (Å) |
z (Å) |
|
a (Å) |
b (Å) |
c (Å) |
S1 |
0.0000 |
0.0000 |
0.1968 |
|
0.0000 |
0.0000 |
0.1968 |
F2 |
0.0000 |
0.0000 |
-1.5093 |
|
0.0000 |
0.0000 |
-1.5093 |
F3 |
0.0000 |
1.8110 |
0.2899 |
|
1.4207 |
1.1231 |
0.2899 |
F4 |
-1.8110 |
0.0000 |
0.2899 |
|
1.1231 |
-1.4207 |
0.2899 |
F5 |
0.0000 |
-1.8110 |
0.2899 |
|
-1.4207 |
-1.1231 |
0.2899 |
F6 |
1.8110 |
0.0000 |
0.2899 |
|
-1.1231 |
1.4207 |
0.2899 |
Atom - Atom Distances (Å)
|
S1 |
F2 |
F3 |
F4 |
F5 |
F6 |
S1 |
| 1.7061 |
1.8134 |
1.8134 |
1.8134 |
1.8134 |
F2 |
1.7061 |
| 2.5528 |
2.5528 |
2.5528 |
2.5528 |
F3 |
1.8134 |
2.5528 |
| 2.5612 |
3.6221 |
2.5612 |
F4 |
1.8134 |
2.5528 |
2.5612 |
| 2.5612 |
3.6221 |
F5 |
1.8134 |
2.5528 |
3.6221 |
2.5612 |
| 2.5612 |
F6 |
1.8134 |
2.5528 |
2.5612 |
3.6221 |
2.5612 |
|
Maximum atom distance is 3.6221Å
between atoms F3 and F5.
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 |
atom2 |
atom3 |
angle |
|
atom1 |
atom2 |
atom3 |
angle |
F2 |
S1 |
F3 |
92.941 |
|
F2 |
S1 |
F4 |
92.941 |
F2 |
S1 |
F5 |
92.941 |
|
F2 |
S1 |
F6 |
92.941 |
F3 |
S1 |
F4 |
89.849 |
|
F3 |
S1 |
F5 |
174.118 |
F3 |
S1 |
F6 |
89.849 |
|
F4 |
S1 |
F5 |
89.849 |
F4 |
S1 |
F6 |
174.118 |
|
F5 |
S1 |
F6 |
89.849 |
For information on specific bond angles or dihedrals
see the geometry comparison page in section
Comparisons > Geometry > Bonds, angles.