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

HF/aug-cc-pVDZ


Point group is C3v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
Ge1 0.0000 0.0000 0.3914   0.3914 0.0000 0.0000
C2 0.0000 0.0000 -1.5741   -1.5741 0.0000 0.0000
H3 0.0000 1.4431 0.9295   0.9295 1.3138 -0.5972
H4 -1.2498 -0.7216 0.9295   0.9295 -1.1741 -0.8392
H5 1.2498 -0.7216 0.9295   0.9295 -0.1397 1.4364
H6 0.0000 -1.0215 -1.9561   -1.9561 -0.9299 0.4227
H7 -0.8846 0.5107 -1.9561   -1.9561 0.0989 -1.0167
H8 0.8846 0.5107 -1.9561   -1.9561 0.8310 0.5940
Atom - Atom Distances (Å)
  Ge1 C2 H3 H4 H5 H6 H7 H8
Ge1 1.9655 1.5402 1.5402 1.5402 2.5601 2.5601 2.5601
C2 1.9655 2.8898 2.8898 2.8898 1.0906 1.0906 1.0906
H3 1.5402 2.8898 2.4996 2.4996 3.7949 3.1589 3.1589
H4 1.5402 2.8898 2.4996 2.4996 3.1589 3.1589 3.7949
H5 1.5402 2.8898 2.4996 2.4996 3.1589 3.7949 3.1589
H6 2.5601 1.0906 3.7949 3.1589 3.1589 1.7692 1.7692
H7 2.5601 1.0906 3.1589 3.1589 3.7949 1.7692 1.7693
H8 2.5601 1.0906 3.1589 3.7949 3.1589 1.7692 1.7693
Maximum atom distance is 3.7949Å between atoms H3 and H6.
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 110.503 Ge1 C2 H7 110.503
Ge1 C2 H8 110.503 C2 Ge1 H3 110.450
C2 Ge1 H4 110.450 C2 Ge1 H5 110.450
H3 Ge1 H4 108.475 H3 Ge1 H5 108.475
H4 Ge1 H5 108.475 H6 C2 H7 108.420
H6 C2 H8 108.420 H7 C2 H8 108.421

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