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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
QCISD/6-311G*
Point group is C2v
| Atom |
Internal |
|
Principal |
| x (Å) |
y (Å) |
z (Å) |
|
a (Å) |
b (Å) |
c (Å) |
| S1 |
0.0000 |
0.0000 |
0.1412 |
|
0.0000 |
0.0000 |
0.1412 |
| O2 |
0.0000 |
0.0000 |
1.5605 |
|
0.0000 |
0.0000 |
1.5605 |
| F3 |
0.0000 |
1.6050 |
-0.0826 |
|
1.6050 |
0.0000 |
-0.0826 |
| F4 |
0.0000 |
-1.6050 |
-0.0826 |
|
-1.6050 |
0.0000 |
-0.0826 |
| F5 |
1.3016 |
0.0000 |
-0.7365 |
|
0.0000 |
1.3016 |
-0.7365 |
| F6 |
-1.3016 |
0.0000 |
-0.7365 |
|
0.0000 |
-1.3016 |
-0.7365 |
Atom - Atom Distances (Å)
| |
S1 |
O2 |
F3 |
F4 |
F5 |
F6 |
| S1 |
| 1.4193 |
1.6205 |
1.6205 |
1.5699 |
1.5699 |
| O2 |
1.4193 |
| 2.2969 |
2.2969 |
2.6402 |
2.6402 |
| F3 |
1.6205 |
2.2969 |
| 3.2099 |
2.1674 |
2.1674 |
| F4 |
1.6205 |
2.2969 |
3.2099 |
| 2.1674 |
2.1674 |
| F5 |
1.5699 |
2.6402 |
2.1674 |
2.1674 |
| 2.6032 |
| F6 |
1.5699 |
2.6402 |
2.1674 |
2.1674 |
2.6032 |
|
Maximum atom distance is 3.2099Å
between atoms F3 and F4.
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
| atom1 |
atom2 |
atom3 |
angle |
|
atom1 |
atom2 |
atom3 |
angle |
|
O2 |
S1 |
F3 |
97.939 |
|
O2 |
S1 |
F4 |
97.939 |
|
O2 |
S1 |
F5 |
123.995 |
|
O2 |
S1 |
F6 |
123.995 |
|
F3 |
S1 |
F4 |
164.121 |
|
F3 |
S1 |
F5 |
85.571 |
|
F3 |
S1 |
F6 |
85.571 |
|
F4 |
S1 |
F5 |
85.571 |
|
F4 |
S1 |
F6 |
85.571 |
|
F5 |
S1 |
F6 |
112.011 |
For information on specific bond angles or dihedrals
see the geometry comparison page in section
Comparisons > Geometry > Bonds, angles.