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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
M06-2X/aug-cc-pVDZ
Point group is C4v
Atom |
Internal |
|
Principal |
x (Å) |
y (Å) |
z (Å) |
|
a (Å) |
b (Å) |
c (Å) |
S1 |
0.0000 |
0.0000 |
0.2090 |
|
0.0000 |
0.0000 |
0.2090 |
F2 |
0.0000 |
0.0000 |
-1.3685 |
|
0.0000 |
0.0000 |
-1.3685 |
F3 |
0.0000 |
1.6371 |
0.2492 |
|
1.6297 |
0.1549 |
0.2492 |
F4 |
-1.6371 |
0.0000 |
0.2492 |
|
0.1549 |
-1.6297 |
0.2492 |
F5 |
0.0000 |
-1.6371 |
0.2492 |
|
-1.6297 |
-0.1549 |
0.2492 |
F6 |
1.6371 |
0.0000 |
0.2492 |
|
-0.1549 |
1.6297 |
0.2492 |
Atom - Atom Distances (Å)
|
S1 |
F2 |
F3 |
F4 |
F5 |
F6 |
S1 |
| 1.5775 |
1.6375 |
1.6375 |
1.6375 |
1.6375 |
F2 |
1.5775 |
| 2.3015 |
2.3015 |
2.3015 |
2.3015 |
F3 |
1.6375 |
2.3015 |
| 2.3151 |
3.2741 |
2.3151 |
F4 |
1.6375 |
2.3015 |
2.3151 |
| 2.3151 |
3.2741 |
F5 |
1.6375 |
2.3015 |
3.2741 |
2.3151 |
| 2.3151 |
F6 |
1.6375 |
2.3015 |
2.3151 |
3.2741 |
2.3151 |
|
Maximum atom distance is 3.2741Å
between atoms F3 and F5.
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 |
atom2 |
atom3 |
angle |
|
atom1 |
atom2 |
atom3 |
angle |
F2 |
S1 |
F3 |
91.408 |
|
F2 |
S1 |
F4 |
91.408 |
F2 |
S1 |
F5 |
91.408 |
|
F2 |
S1 |
F6 |
91.408 |
F3 |
S1 |
F4 |
89.965 |
|
F3 |
S1 |
F5 |
177.183 |
F3 |
S1 |
F6 |
89.965 |
|
F4 |
S1 |
F5 |
89.965 |
F4 |
S1 |
F6 |
177.183 |
|
F5 |
S1 |
F6 |
89.965 |
For information on specific bond angles or dihedrals
see the geometry comparison page in section
Comparisons > Geometry > Bonds, angles.