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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
CCD/6-31G
Point group is C3v
| Atom |
Internal |
|
Principal |
| x (Å) |
y (Å) |
z (Å) |
|
a (Å) |
b (Å) |
c (Å) |
| Ge1 |
0.0000 |
0.0000 |
0.3931 |
|
0.3931 |
0.0000 |
0.0000 |
| C2 |
0.0000 |
0.0000 |
-1.5825 |
|
-1.5825 |
0.0000 |
0.0000 |
| H3 |
0.0000 |
1.4626 |
0.9262 |
|
0.9262 |
1.1812 |
-0.8624 |
| H4 |
-1.2666 |
-0.7313 |
0.9262 |
|
0.9262 |
-1.3375 |
-0.5918 |
| H5 |
1.2666 |
-0.7313 |
0.9262 |
|
0.9262 |
0.1563 |
1.4542 |
| H6 |
0.0000 |
-1.0346 |
-1.9547 |
|
-1.9547 |
-0.8356 |
0.6101 |
| H7 |
-0.8960 |
0.5173 |
-1.9547 |
|
-1.9547 |
-0.1105 |
-1.0287 |
| H8 |
0.8960 |
0.5173 |
-1.9547 |
|
-1.9547 |
0.9461 |
0.4186 |
Atom - Atom Distances (Å)
| |
Ge1 |
C2 |
H3 |
H4 |
H5 |
H6 |
H7 |
H8 |
| Ge1 |
| 1.9757 |
1.5567 |
1.5567 |
1.5567 |
2.5657 |
2.5657 |
2.5657 |
| C2 |
1.9757 |
| 2.9040 |
2.9040 |
2.9040 |
1.0995 |
1.0995 |
1.0995 |
| H3 |
1.5567 |
2.9040 |
| 2.5332 |
2.5332 |
3.8125 |
3.1616 |
3.1616 |
| H4 |
1.5567 |
2.9040 |
2.5332 |
| 2.5332 |
3.1616 |
3.1616 |
3.8125 |
| H5 |
1.5567 |
2.9040 |
2.5332 |
2.5332 |
| 3.1616 |
3.8125 |
3.1616 |
| H6 |
2.5657 |
1.0995 |
3.8125 |
3.1616 |
3.1616 |
| 1.7920 |
1.7920 |
| H7 |
2.5657 |
1.0995 |
3.1616 |
3.1616 |
3.8125 |
1.7920 |
| 1.7920 |
| H8 |
2.5657 |
1.0995 |
3.1616 |
3.8125 |
3.1616 |
1.7920 |
1.7920 |
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Maximum atom distance is 3.8125Å
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 |
109.784 |
|
Ge1 |
C2 |
H7 |
109.784 |
|
Ge1 |
C2 |
H8 |
109.784 |
|
C2 |
Ge1 |
H3 |
110.026 |
|
C2 |
Ge1 |
H4 |
110.026 |
|
C2 |
Ge1 |
H5 |
110.026 |
|
H3 |
Ge1 |
H4 |
108.911 |
|
H3 |
Ge1 |
H5 |
108.911 |
|
H4 |
Ge1 |
H5 |
108.911 |
|
H6 |
C2 |
H7 |
109.156 |
|
H6 |
C2 |
H8 |
109.156 |
|
H7 |
C2 |
H8 |
109.156 |
For information on specific bond angles or dihedrals
see the geometry comparison page in section
Comparisons > Geometry > Bonds, angles.