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 SiH2F2 (difluorosilane) 1A1 C2V

1910171554
InChI=1S/F2H2Si/c1-3-2/h3H2 INChIKey=PUUOOWSPWTVMDS-UHFFFAOYSA-N

B3LYP/Def2TZVPP


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
Si1 0.0000 0.0000 0.4489   0.0000 0.4489 0.0000
F2 0.0000 1.2876 -0.4872   1.2876 -0.4872 0.0000
F3 0.0000 -1.2876 -0.4872   -1.2876 -0.4872 0.0000
H4 1.2364 0.0000 1.2423   0.0000 1.2423 1.2364
H5 -1.2364 0.0000 1.2423   0.0000 1.2423 -1.2364
Atom - Atom Distances (Å)
  Si1 F2 F3 H4 H5
Si1 1.5919 1.5919 1.4690 1.4690
F2 1.5919 2.5752 2.4854 2.4854
F3 1.5919 2.5752 2.4854 2.4854
H4 1.4690 2.4854 2.4854 2.4727
H5 1.4690 2.4854 2.4854 2.4727
Maximum atom distance is 2.5752Å between atoms F2 and F3.
picture of difluorosilane
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
F2 Si1 F3 107.970
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
F2 Si1 H4 108.516 F2 Si1 H5 108.516
F3 Si1 H4 108.516 F3 Si1 H5 108.516
H4 Si1 H5 114.621

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