Geometric Data
Point Group Cs
Internal coordinates
distances (r) in Å, angles (a) in degrees, dihedrals (d) in degrees
Cartesians
| Atom |
x (Å) |
y (Å) |
z (Å) |
| O1 |
1.1475 |
0.2276 |
0.0000 |
| O2 |
0.0000 |
0.5789 |
0.0000 |
| F3 |
-1.0200 |
-0.7169 |
0.0000 |
Atom - Atom Distances
Distances in Å
| |
O1 |
O2 |
F3 |
| O1 |
|
1.2000 | 2.3643 |
| O2 |
1.2000 |
|
1.6490 |
| F3 |
2.3643 | 1.6490 |
|
Calculated geometries
for FOO (Dioxygen monofluoride radical).
Experimental Bond Angles (degrees) from cartesians
| atom1 |
atom2 |
atom3 |
angle |
| O1 |
O2 |
F3 |
111.190 |
Bond descriptions
Examples: C-C single bond, C=C, double bond, C#C triple bond, C:C aromatic bond
| Bond Type |
Count |
| O-O |
1 |
| O-F |
1 |
Connectivity
| Atom 1 |
Atom 2 |
| O1 |
O2 |
| O2 |
F3 |
Dipole, Quadrupole and Polarizability
Electric dipole moment
| State |
Config |
State description |
Conf description |
Exp. min. |
Dipole (Debye) |
Reference |
comment |
Point Group |
Components |
| x |
y |
z |
total |
dipole |
quadrupole |
| 1 |
1 |
2A" |
Cs |
True |
|
|
|
|
|
|
Cs |
2 |
3 |
Experimental dipole measurement abbreviations: MW microwave; DT Dielectric with Temperature variation; DR Indirect (usually an upper limit); MB Molecular beam
Calculated electric dipole moments for
FOO (Dioxygen monofluoride radical).
Electric quadrupole moment
| State |
Config |
State description |
Conf description |
Exp. min. |
Quadrupole (D Å) |
Reference |
comment |
Point Group |
Components |
| xx |
yy |
zz |
dipole |
quadrupole |
| 1 |
1 |
2A" |
Cs |
True |
|
|
|
|
|
Cs |
2 |
3 |
Calculated electric quadrupole moments for
FOO (Dioxygen monofluoride radical).