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Computational Chemistry Comparison and Benchmark DataBase
Release 22 (May 2022) Standard Reference Database 101
National Institute of Standards and Technology
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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 |
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Maximum atom distance is 3.7949Å
between atoms H3 and H6.
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.