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 SiH3F (monofluorosilane) 1A1 C3V

1910171554
InChI=1S/FH3Si/c1-2/h2H3 INChIKey=XPBBUZJBQWWFFJ-UHFFFAOYSA-N

B97D3/6-31G(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 0.5021   0.5021 0.0000 0.0000
F2 0.0000 0.0000 -1.1081   -1.1081 0.0000 0.0000
H3 0.0000 1.4092 0.9813   0.9813 0.5092 1.3140
H4 -1.2204 -0.7046 0.9813   0.9813 -1.3925 -0.2160
H5 1.2204 -0.7046 0.9813   0.9813 0.8833 -1.0980
Atom - Atom Distances (Å)
  Si1 F2 H3 H4 H5
Si1 1.6102 1.4885 1.4885 1.4885
F2 1.6102 2.5202 2.5202 2.5202
H3 1.4885 2.5202 2.4408 2.4408
H4 1.4885 2.5202 2.4408 2.4408
H5 1.4885 2.5202 2.4408 2.4408
Maximum atom distance is 2.5202Å between atoms F2 and H3.
picture of monofluorosilane
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
F2 Si1 H3 108.782 F2 Si1 H4 108.782
F2 Si1 H5 108.782 H3 Si1 H4 110.151
H3 Si1 H5 110.151 H4 Si1 H5 110.151

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