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

PBEPBEultrafine/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 0.5049   0.5049 0.0000 0.0000
F2 0.0000 0.0000 -1.1199   -1.1199 0.0000 -0.0000
H3 0.0000 1.4135 1.0034   1.0034 -1.4135 -0.0000
H4 -1.2241 -0.7067 1.0034   1.0034 0.7067 1.2241
H5 1.2241 -0.7067 1.0034   1.0034 0.7067 -1.2241
Atom - Atom Distances (Å)
  Si1 F2 H3 H4 H5
Si1 1.6248 1.4988 1.4988 1.4988
F2 1.6248 2.5507 2.5507 2.5507
H3 1.4988 2.5507 2.4482 2.4482
H4 1.4988 2.5507 2.4482 2.4482
H5 1.4988 2.5507 2.4482 2.4482
Maximum atom distance is 2.5507Å between atoms F2 and H4.
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 109.426 F2 Si1 H4 109.426
F2 Si1 H5 109.426 H3 Si1 H4 109.517
H3 Si1 H5 109.517 H4 Si1 H5 109.517

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