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

HF/aug-cc-pVQZ


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
Si1 0.0000 0.0000 0.4434   0.0000 0.4434 0.0000
F2 0.0000 1.2606 -0.4828   1.2606 -0.4828 0.0000
F3 0.0000 -1.2606 -0.4828   -1.2606 -0.4828 0.0000
H4 1.2249 0.0000 1.2412   0.0000 1.2412 1.2249
H5 -1.2249 0.0000 1.2412   0.0000 1.2412 -1.2249
Atom - Atom Distances (Å)
  Si1 F2 F3 H4 H5
Si1 1.5643 1.5643 1.4618 1.4618
F2 1.5643 2.5212 2.4620 2.4620
F3 1.5643 2.5212 2.4620 2.4620
H4 1.4618 2.4620 2.4620 2.4498
H5 1.4618 2.4620 2.4620 2.4498
Maximum atom distance is 2.5212Å 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 107.388
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
F2 Si1 H4 108.852 F2 Si1 H5 108.852
F3 Si1 H4 108.852 F3 Si1 H5 108.852
H4 Si1 H5 113.851

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