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 GeH3F (monofluorogermane) 1A1 C3V

1910171554
InChI=1S/FGeH3/c1-2/h2H3 INChIKey=BCQKCDCVNZQJKN-UHFFFAOYSA-N

MP2/3-21G*


Point group is C3v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
Ge1 0.0000 0.0000 0.3251   0.3251 0.0000 0.0000
F2 0.0000 0.0000 -1.4169   -1.4169 0.0000 0.0000
H3 0.0000 1.4829 0.7834   0.7834 1.4829 0.0000
H4 -1.2842 -0.7414 0.7834   0.7834 -0.7414 -1.2842
H5 1.2842 -0.7414 0.7834   0.7834 -0.7414 1.2842
Atom - Atom Distances (Å)
  Ge1 F2 H3 H4 H5
Ge1 1.7419 1.5521 1.5521 1.5521
F2 1.7419 2.6533 2.6533 2.6533
H3 1.5521 2.6533 2.5684 2.5684
H4 1.5521 2.6533 2.5684 2.5684
H5 1.5521 2.6533 2.5684 2.5684
Maximum atom distance is 2.6533Å between atoms F2 and H4.
picture of monofluorogermane
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 Ge1 H3 107.176 F2 Ge1 H4 107.176
F2 Ge1 H5 107.176 H3 Ge1 H4 111.665
H3 Ge1 H5 111.665 H4 Ge1 H5 111.665

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