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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
B97D3/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 |
0.3926 |
|
0.3926 |
0.0000 |
0.0000 |
| C2 |
0.0000 |
0.0000 |
-1.5803 |
|
-1.5803 |
0.0000 |
0.0000 |
| H3 |
0.0000 |
1.4464 |
0.9303 |
|
0.9303 |
1.0197 |
1.0258 |
| H4 |
-1.2526 |
-0.7232 |
0.9303 |
|
0.9303 |
-1.3982 |
0.3702 |
| H5 |
1.2526 |
-0.7232 |
0.9303 |
|
0.9303 |
0.3785 |
-1.3960 |
| H6 |
0.0000 |
-1.0262 |
-1.9568 |
|
-1.9568 |
-0.7235 |
-0.7278 |
| H7 |
-0.8887 |
0.5131 |
-1.9568 |
|
-1.9568 |
-0.2686 |
0.9904 |
| H8 |
0.8887 |
0.5131 |
-1.9568 |
|
-1.9568 |
0.9920 |
-0.2626 |
Atom - Atom Distances (Å)
| |
Ge1 |
C2 |
H3 |
H4 |
H5 |
H6 |
H7 |
H8 |
| Ge1 |
| 1.9729 |
1.5431 |
1.5431 |
1.5431 |
2.5637 |
2.5637 |
2.5637 |
| C2 |
1.9729 |
| 2.8975 |
2.8975 |
2.8975 |
1.0931 |
1.0931 |
1.0931 |
| H3 |
1.5431 |
2.8975 |
| 2.5053 |
2.5053 |
3.8012 |
3.1617 |
3.1617 |
| H4 |
1.5431 |
2.8975 |
2.5053 |
| 2.5053 |
3.1617 |
3.1617 |
3.8012 |
| H5 |
1.5431 |
2.8975 |
2.5053 |
2.5053 |
| 3.1617 |
3.8012 |
3.1617 |
| H6 |
2.5637 |
1.0931 |
3.8012 |
3.1617 |
3.1617 |
| 1.7774 |
1.7774 |
| H7 |
2.5637 |
1.0931 |
3.1617 |
3.1617 |
3.8012 |
1.7774 |
| 1.7774 |
| H8 |
2.5637 |
1.0931 |
3.1617 |
3.8012 |
3.1617 |
1.7774 |
1.7774 |
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Maximum atom distance is 3.8012Å
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 |
110.393 |
|
Ge1 |
C2 |
H7 |
110.393 |
|
Ge1 |
C2 |
H8 |
110.393 |
|
C2 |
Ge1 |
H3 |
110.576 |
|
C2 |
Ge1 |
H4 |
110.576 |
|
C2 |
Ge1 |
H5 |
110.576 |
|
H3 |
Ge1 |
H4 |
108.345 |
|
H3 |
Ge1 |
H5 |
108.345 |
|
H4 |
Ge1 |
H5 |
108.345 |
|
H6 |
C2 |
H7 |
108.534 |
|
H6 |
C2 |
H8 |
108.534 |
|
H7 |
C2 |
H8 |
108.534 |
For information on specific bond angles or dihedrals
see the geometry comparison page in section
Comparisons > Geometry > Bonds, angles.