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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 FOOF (Perfluoroperoxide)
1A C2
1910171554
InChI=1S/F2O2/c1-3-4-2 INChIKey=REAOZOPEJGPVCB-UHFFFAOYSA-N
HF/SDD
Point group is C2
| Atom |
Internal |
|
Principal |
| x (Å) |
y (Å) |
z (Å) |
|
a (Å) |
b (Å) |
c (Å) |
| F1 |
0.6312 |
1.2679 |
-0.4740 |
|
-0.7356 |
0.2864 |
1.2679 |
| O2 |
0.6312 |
0.2700 |
0.5333 |
|
0.1203 |
0.8175 |
0.2700 |
| O3 |
-0.6312 |
-0.2700 |
0.5333 |
|
0.7860 |
-0.2552 |
-0.2700 |
| F4 |
-0.6312 |
-1.2679 |
-0.4740 |
|
-0.0700 |
-0.7863 |
-1.2679 |
Atom - Atom Distances (Å)
| |
F1 |
O2 |
O3 |
F4 |
| F1 |
|
1.4180 |
2.2302 |
2.8327 |
| O2 |
1.4180 |
|
1.3731 |
2.2302 |
| O3 |
2.2302 |
1.3731 |
|
1.4180 |
| F4 |
2.8327 |
2.2302 |
1.4180 |
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Maximum atom distance is 2.8327Å
between atoms F1 and F4.
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
| atom1 |
atom2 |
atom3 |
angle |
|
atom1 |
atom2 |
atom3 |
angle |
|
F1 |
O2 |
O3 |
106.066 |
|
O2 |
O3 |
F4 |
106.066 |
For information on specific bond angles or dihedrals
see the geometry comparison page in section
Comparisons > Geometry > Bonds, angles.