return to home page Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
You are here: Home > Geometry > Calculated > Calculated geometry OR Calculated > Geometry > Calculated geometry

Geometry for SiF3 (Silicon trifluoride radical) 2A1 C3V

1910171554
InChI=1S/F3Si/c1-4(2)3 INChIKey=ATVLVRVBCRICNU-UHFFFAOYSA-N

PBEPBE/STO-3G


Point group is C3v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
Si1 0.0000 0.0000 0.4899   0.0000 0.0000 0.4899
F2 0.0000 1.5011 -0.2540   1.5006 -0.0417 -0.2540
F3 1.3000 -0.7506 -0.2540   -0.7142 1.3203 -0.2540
F4 -1.3000 -0.7506 -0.2540   -0.7864 -1.2787 -0.2540
Atom - Atom Distances (Å)
  Si1 F2 F3 F4
Si1 1.6754 1.6754 1.6754
F2 1.6754 2.6000 2.6000
F3 1.6754 2.6000 2.6000
F4 1.6754 2.6000 2.6000
Maximum atom distance is 2.6000Å between atoms F2 and F3.
picture of Silicon trifluoride radical
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
F2 Si1 F3 101.783 F2 Si1 F4 101.783
F3 Si1 F4 101.783

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