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/6-31G**


Point group is C3v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
Si1 0.0000 0.0000 0.3776   0.0000 0.0000 0.3776
F2 0.0000 1.5078 -0.1958   1.5078 0.0000 -0.1958
F3 1.3058 -0.7539 -0.1958   -0.7539 1.3058 -0.1958
F4 -1.3058 -0.7539 -0.1958   -0.7539 -1.3058 -0.1958
Atom - Atom Distances (Å)
  Si1 F2 F3 F4
Si1 1.6131 1.6131 1.6131
F2 1.6131 2.6116 2.6116
F3 1.6131 2.6116 2.6116
F4 1.6131 2.6116 2.6116
Maximum atom distance is 2.6116Å 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 108.091 F2 Si1 F4 108.091
F3 Si1 F4 108.091

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