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Geometry for SeF6 (Selenium hexafluoride) 1A1G OH

1910171554
InChI=1S/F6Se/c1-7(2,3,4,5)6 INChIKey=LMDVZDMBPZVAIV-UHFFFAOYSA-N

B3LYP/6-311G**


Point group is Oh
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
Se1 0.0000 0.0000 0.0000   0.0000 0.0000 0.0000
F2 0.0000 0.0000 1.7373   0.0000 1.7373 0.0000
F3 0.0000 1.7373 0.0000   1.7303 0.0000 0.1560
F4 1.7373 0.0000 0.0000   -0.1560 0.0000 1.7303
F5 0.0000 -1.7373 0.0000   -1.7303 0.0000 -0.1560
F6 -1.7373 0.0000 0.0000   0.1560 0.0000 -1.7303
F7 0.0000 0.0000 -1.7373   0.0000 -1.7373 0.0000
Atom - Atom Distances (Å)
  Se1 F2 F3 F4 F5 F6 F7
Se1 1.7373 1.7373 1.7373 1.7373 1.7373 1.7373
F2 1.7373 2.4570 2.4570 2.4570 2.4570 3.4747
F3 1.7373 2.4570 2.4570 3.4747 2.4570 2.4570
F4 1.7373 2.4570 2.4570 2.4570 3.4747 2.4570
F5 1.7373 2.4570 3.4747 2.4570 2.4570 2.4570
F6 1.7373 2.4570 2.4570 3.4747 2.4570 2.4570
F7 1.7373 3.4747 2.4570 2.4570 2.4570 2.4570
Maximum atom distance is 3.4747Å between atoms F2 and F7.
picture of Selenium hexafluoride
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
F2 Se1 F3 90.000 F2 Se1 F4 90.000
F2 Se1 F5 90.000 F2 Se1 F6 90.000
F2 Se1 F7 180.000 F3 Se1 F4 90.000
F3 Se1 F5 180.000 F3 Se1 F6 90.000
F3 Se1 F7 90.000 F4 Se1 F5 90.000
F4 Se1 F6 180.000 F4 Se1 F7 90.000
F5 Se1 F6 90.000 F5 Se1 F7 90.000
F6 Se1 F7 90.000

For information on specific bond angles or dihedrals see the geometry comparison page in section Comparisons > Geometry > Bonds, angles.