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Geometry for SiHF3 (trifluorosilane) 1A1 C3V

1910171554
InChI=1S/F3HSi/c1-4(2)3/h4H INChIKey=WPPVEXTUHHUEIV-UHFFFAOYSA-N

PBEPBE/6-31G(2df,p)


Point group is C3v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
Si1 0.0000 0.0000 0.3229   0.0000 0.0000 0.3229
H2 0.0000 0.0000 1.7988   0.0000 0.0000 1.7988
F3 0.0000 1.4872 -0.2341   -0.3094 1.4546 -0.2341
F4 1.2879 -0.7436 -0.2341   1.4145 -0.4593 -0.2341
F5 -1.2879 -0.7436 -0.2341   -1.1050 -0.9953 -0.2341
Atom - Atom Distances (Å)
  Si1 H2 F3 F4 F5
Si1 1.4759 1.5881 1.5881 1.5881
H2 1.4759 2.5188 2.5188 2.5188
F3 1.5881 2.5188 2.5758 2.5758
F4 1.5881 2.5188 2.5758 2.5758
F5 1.5881 2.5188 2.5758 2.5758
Maximum atom distance is 2.5758Å between atoms F4 and F5.
picture of trifluorosilane
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
F3 Si1 F4 108.389 F3 Si1 F5 108.389
F4 Si1 F5 108.389
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
H2 Si1 F3 110.533 H2 Si1 F4 110.533
H2 Si1 F5 110.533

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