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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 FSSF (Difluorodisulfane)
1A C2
1910171554
InChI=1S/F2S2/c1-3-4-2 INChIKey=DKDSFVCSLPKNPV-UHFFFAOYSA-N
HSEh1PBE/6-31+G**
Point group is C2
Atom |
Internal |
|
Principal |
x (Å) |
y (Å) |
z (Å) |
|
a (Å) |
b (Å) |
c (Å) |
S1 |
-0.3983 |
0.8716 |
-0.4113 |
|
-0.4043 |
-0.4055 |
0.8716 |
S2 |
0.3983 |
-0.8716 |
-0.4113 |
|
-0.4183 |
0.3910 |
-0.8716 |
F3 |
0.3983 |
1.7882 |
0.7312 |
|
0.7241 |
0.4111 |
1.7882 |
F4 |
-0.3983 |
-1.7882 |
0.7312 |
|
0.7381 |
-0.3854 |
-1.7882 |
Atom - Atom Distances (Å)
|
S1 |
S2 |
F3 |
F4 |
S1 |
| 1.9166 |
1.6674 |
2.8948 |
S2 |
1.9166 |
| 2.8948 |
1.6674 |
F3 |
1.6674 |
2.8948 |
| 3.6641 |
F4 |
2.8948 |
1.6674 |
3.6641 |
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Maximum atom distance is 3.6641Å
between atoms F3 and F4.
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 |
atom2 |
atom3 |
angle |
|
atom1 |
atom2 |
atom3 |
angle |
S1 |
S2 |
F4 |
107.541 |
|
S2 |
S1 |
F3 |
107.541 |
For information on specific bond angles or dihedrals
see the geometry comparison page in section
Comparisons > Geometry > Bonds, angles.