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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 SOF4 (Sulfur tetrafluoride oxide)
1A1 C2V
1910171554
InChI=1S/F4OS/c1-6(2,3,4)5 INChIKey=DUGWRBKBGKTKOX-UHFFFAOYSA-N
CCD/3-21G*
Point group is C2v
Atom |
Internal |
|
Principal |
x (Å) |
y (Å) |
z (Å) |
|
a (Å) |
b (Å) |
c (Å) |
S1 |
0.0000 |
0.0000 |
0.1413 |
|
0.0000 |
0.0000 |
0.1413 |
O2 |
0.0000 |
0.0000 |
1.5685 |
|
0.0000 |
0.0000 |
1.5685 |
F3 |
0.0000 |
1.5874 |
-0.0972 |
|
1.5874 |
0.0000 |
-0.0972 |
F4 |
0.0000 |
-1.5874 |
-0.0972 |
|
-1.5874 |
0.0000 |
-0.0972 |
F5 |
1.3135 |
0.0000 |
-0.7255 |
|
0.0000 |
1.3135 |
-0.7255 |
F6 |
-1.3135 |
0.0000 |
-0.7255 |
|
0.0000 |
-1.3135 |
-0.7255 |
Atom - Atom Distances (Å)
|
S1 |
O2 |
F3 |
F4 |
F5 |
F6 |
S1 |
| 1.4272 |
1.6053 |
1.6053 |
1.5738 |
1.5738 |
O2 |
1.4272 |
| 2.3010 |
2.3010 |
2.6435 |
2.6435 |
F3 |
1.6053 |
2.3010 |
| 3.1749 |
2.1541 |
2.1541 |
F4 |
1.6053 |
2.3010 |
3.1749 |
| 2.1541 |
2.1541 |
F5 |
1.5738 |
2.6435 |
2.1541 |
2.1541 |
| 2.6271 |
F6 |
1.5738 |
2.6435 |
2.1541 |
2.1541 |
2.6271 |
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Maximum atom distance is 3.1749Å
between atoms F3 and F4.
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 |
atom2 |
atom3 |
angle |
|
atom1 |
atom2 |
atom3 |
angle |
O2 |
S1 |
F3 |
98.543 |
|
O2 |
S1 |
F4 |
98.543 |
O2 |
S1 |
F5 |
123.421 |
|
O2 |
S1 |
F6 |
123.421 |
F3 |
S1 |
F4 |
162.914 |
|
F3 |
S1 |
F5 |
85.307 |
F3 |
S1 |
F6 |
85.307 |
|
F4 |
S1 |
F5 |
85.307 |
F4 |
S1 |
F6 |
85.307 |
|
F5 |
S1 |
F6 |
113.159 |
For information on specific bond angles or dihedrals
see the geometry comparison page in section
Comparisons > Geometry > Bonds, angles.