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 GeH3CH3 (methyl germane) 1A1 C3V

1910171554
InChI=1S/CH6Ge/c1-2/h1-2H3 INChIKey=FOTXTBSEOHNRCB-UHFFFAOYSA-N

CCSD=FULL/cc-pVTZ


Point group is C3v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
Ge1 0.0000 0.0000 0.3847   0.3847 0.0000 0.0000
C2 0.0000 0.0000 -1.5459   -1.5459 0.0000 0.0000
H3 0.0000 1.4248 0.9126   0.9126 -0.5192 1.3269
H4 -1.2339 -0.7124 0.9126   0.9126 -0.8895 -1.1131
H5 1.2339 -0.7124 0.9126   0.9126 1.4087 -0.2138
H6 0.0000 -1.0167 -1.9248   -1.9248 0.3705 -0.9467
H7 -0.8804 0.5083 -1.9248   -1.9248 -1.0051 0.1525
H8 0.8804 0.5083 -1.9248   -1.9248 0.6347 0.7942
Atom - Atom Distances (Å)
  Ge1 C2 H3 H4 H5 H6 H7 H8
Ge1 1.9307 1.5195 1.5195 1.5195 2.5234 2.5234 2.5234
C2 1.9307 2.8416 2.8416 2.8416 1.0849 1.0849 1.0849
H3 1.5195 2.8416 2.4679 2.4679 3.7432 3.1090 3.1090
H4 1.5195 2.8416 2.4679 2.4679 3.1090 3.1090 3.7432
H5 1.5195 2.8416 2.4679 2.4679 3.1090 3.7432 3.1090
H6 2.5234 1.0849 3.7432 3.1090 3.1090 1.7609 1.7609
H7 2.5234 1.0849 3.1090 3.1090 3.7432 1.7609 1.7609
H8 2.5234 1.0849 3.1090 3.7432 3.1090 1.7609 1.7609
Maximum atom distance is 3.7432Å between atoms H4 and H8.
picture of methyl germane
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
Ge1 C2 H6 110.437 Ge1 C2 H7 110.437
Ge1 C2 H8 110.437 C2 Ge1 H3 110.329
C2 Ge1 H4 110.329 C2 Ge1 H5 110.329
H3 Ge1 H4 108.600 H3 Ge1 H5 108.600
H4 Ge1 H5 108.600 H6 C2 H7 108.489
H6 C2 H8 108.489 H7 C2 H8 108.489

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