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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
MP2=FULL/3-21G*
Point group is C3v
| Atom |
Internal |
|
Principal |
| x (Å) |
y (Å) |
z (Å) |
|
a (Å) |
b (Å) |
c (Å) |
| Ge1 |
0.0000 |
0.0000 |
0.3933 |
|
0.3933 |
0.0000 |
0.0000 |
| C2 |
0.0000 |
0.0000 |
-1.5881 |
|
-1.5881 |
0.0000 |
0.0000 |
| H3 |
0.0000 |
1.4569 |
0.9399 |
|
0.9399 |
0.5603 |
1.3448 |
| H4 |
-1.2617 |
-0.7284 |
0.9399 |
|
0.9399 |
-1.4448 |
-0.1871 |
| H5 |
1.2617 |
-0.7284 |
0.9399 |
|
0.9399 |
0.8845 |
-1.1577 |
| H6 |
0.0000 |
-1.0300 |
-1.9584 |
|
-1.9584 |
-0.3962 |
-0.9508 |
| H7 |
-0.8920 |
0.5150 |
-1.9584 |
|
-1.9584 |
-0.6253 |
0.8185 |
| H8 |
0.8920 |
0.5150 |
-1.9584 |
|
-1.9584 |
1.0215 |
0.1323 |
Atom - Atom Distances (Å)
| |
Ge1 |
C2 |
H3 |
H4 |
H5 |
H6 |
H7 |
H8 |
| Ge1 |
| 1.9813 |
1.5561 |
1.5561 |
1.5561 |
2.5674 |
2.5674 |
2.5674 |
| C2 |
1.9813 |
| 2.9177 |
2.9177 |
2.9177 |
1.0946 |
1.0946 |
1.0946 |
| H3 |
1.5561 |
2.9177 |
| 2.5234 |
2.5234 |
3.8190 |
3.1754 |
3.1754 |
| H4 |
1.5561 |
2.9177 |
2.5234 |
| 2.5234 |
3.1754 |
3.1754 |
3.8190 |
| H5 |
1.5561 |
2.9177 |
2.5234 |
2.5234 |
| 3.1754 |
3.8190 |
3.1754 |
| H6 |
2.5674 |
1.0946 |
3.8190 |
3.1754 |
3.1754 |
| 1.7841 |
1.7841 |
| H7 |
2.5674 |
1.0946 |
3.1754 |
3.1754 |
3.8190 |
1.7841 |
| 1.7841 |
| H8 |
2.5674 |
1.0946 |
3.1754 |
3.8190 |
3.1754 |
1.7841 |
1.7841 |
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Maximum atom distance is 3.8190Å
between atoms H4 and H8.
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 |
109.775 |
|
Ge1 |
C2 |
H7 |
109.775 |
|
Ge1 |
C2 |
H8 |
109.775 |
|
C2 |
Ge1 |
H3 |
110.566 |
|
C2 |
Ge1 |
H4 |
110.566 |
|
C2 |
Ge1 |
H5 |
110.566 |
|
H3 |
Ge1 |
H4 |
108.355 |
|
H3 |
Ge1 |
H5 |
108.355 |
|
H4 |
Ge1 |
H5 |
108.355 |
|
H6 |
C2 |
H7 |
109.165 |
|
H6 |
C2 |
H8 |
109.165 |
|
H7 |
C2 |
H8 |
109.165 |
For information on specific bond angles or dihedrals
see the geometry comparison page in section
Comparisons > Geometry > Bonds, angles.