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Geometry for SiH2F2 (difluorosilane) 1A1 C2V

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

B3LYPultrafine/TZVP


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
Si1 0.0000 0.0000 0.4593   0.4593 0.0000 0.0000
F2 0.0000 1.3041 -0.4958   -0.4958 0.0000 1.3041
F3 0.0000 -1.3041 -0.4958   -0.4958 0.0000 -1.3041
H4 1.2464 0.0000 1.2472   1.2472 1.2464 0.0000
H5 -1.2464 0.0000 1.2472   1.2472 -1.2464 0.0000
Atom - Atom Distances (Å)
  Si1 F2 F3 H4 H5
Si1 1.6165 1.6165 1.4745 1.4745
F2 1.6165 2.6083 2.5084 2.5084
F3 1.6165 2.6083 2.5084 2.5084
H4 1.4745 2.5084 2.5084 2.4928
H5 1.4745 2.5084 2.5084 2.4928
Maximum atom distance is 2.6083Å 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 107.564
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
F2 Si1 H4 108.403 F2 Si1 H5 108.403
F3 Si1 H4 108.403 F3 Si1 H5 108.403
H4 Si1 H5 115.406

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